N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide

C11H16N2O4S2 — CID 94151657

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S2/c1-2-13(10-5-7-18(14,15)9-10)19(16,17)11-4-3-6-12-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3/t10-/m0/s1
InChIKeyMTTSQMPLJUEIAP-JTQLQIEISA-N
MW304.39 g/mol
LogP0.28
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide (PubChem CID 94151657) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
PubChem CID94151657
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S2/c1-2-13(10-5-7-18(14,15)9-10)19(16,17)11-4-3-6-12-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3/t10-/m0/s1
InChIKeyMTTSQMPLJUEIAP-JTQLQIEISA-N
XLogP0.28
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 97204279
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 46557060
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
CID 113067780
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 97185751
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 18229386
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 60745540

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide (CID 94151657) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide is CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is MTTSQMPLJUEIAP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-2-13(10-5-7-18(14,15)9-10)19(16,17)11-4-3-6-12-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 94151657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).