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CAS No.: | 144098-17-9 |
---|---|
Name: | [[3-[(Dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]carbamic acid ethyl ester |
Molecular Structure: | |
Formula: | C11H15N3O5S |
Molecular Weight: | 301.32 |
Synonyms: | 2-(ETHOXYCARBONYLSULFAMOYL)-N,N-DIMETHYLNICOTINAMIDE;[[3-[(DIMETHYLAMINO)CARBONYL]-2-PYRIDINYL]SULFONYL]-CARBAMIC ACID ETHYL ESTER;Ethyl N-[3-(N,N-DiMethylcarbaMoyl)pyridin-2-ylsulfonyl]carbaMate;N-[[3-[(DiMethylaMino)carbonyl]-2-pyridinyl]sulfonyl]carbaMic Acid Ethyl Ester |
Density: | 1.338 g/cm3 |
PSA: | 114.05000 |
LogP: | 1.68990 |
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The [[3-[(Dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]carbamic acid ethyl ester, with CAS registry number 144098-17-9, has the systematic name of ethyl N-[[3-(dimethylcarbamoyl)-2-pyridyl]sulfonyl]carbamate. Besides this, it is also called carbamic acid, N-[[3-[(dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]-, ethyl ester. And the chemical formula of this chemical is C11H15N3O5S.
Physical properties of [[3-[(Dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]carbamic acid ethyl ester: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 8; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 114.05 Å2; (6)Index of Refraction: 1.54; (7)Molar Refractivity: 70.64 cm3; (8)Molar Volume: 225 cm3; (9)Polarizability: 28×10-24cm3; (10)Surface Tension: 51.4 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)NS(=O)(=O)c1c(cccn1)C(=O)N(C)C
(2)InChI: InChI=1/C11H15N3O5S/c1-4-19-11(16)13-20(17,18)9-8(6-5-7-12-9)10(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,16)
(3)InChIKey: ZXPKRPDKCIKQOF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15N3O5S/c1-4-19-11(16)13-20(17,18)9-8(6-5-7-12-9)10(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,16)
(5)Std. InChIKey: ZXPKRPDKCIKQOF-UHFFFAOYSA-N