6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide

C10H14N2O4S2 — CID 113480438

IUPAC6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NC2CCS(=O)CC2)c[nH]1
InChIInChI=1S/C10H14N2O4S2/c13-10-2-1-9(7-11-10)18(15,16)12-8-3-5-17(14)6-4-8/h1-2,7-8,12H,3-6H2,(H,11,13)
InChIKeyKRKHWNKDYAHQLL-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.44
Rot. Bonds3

About 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide

6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide (PubChem CID 113480438) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide
PubChem CID113480438
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NC2CCS(=O)CC2)c[nH]1
InChIInChI=1S/C10H14N2O4S2/c13-10-2-1-9(7-11-10)18(15,16)12-8-3-5-17(14)6-4-8/h1-2,7-8,12H,3-6H2,(H,11,13)
InChIKeyKRKHWNKDYAHQLL-UHFFFAOYSA-N
XLogP-0.44
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61273889
N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
CID 75399114
N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 63999798
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide
CID 113480161
2-nitro-N-(1-oxothian-4-yl)benzenesulfonamide
CID 139050589
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
6-oxo-1H-pyridine-3-sulfonyl fluoride
CID 138040660
6-oxo-1H-pyridine-3-sulfonyl iodide
CID 175697011
5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
CID 104600176

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide (CID 113480438) is 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NC2CCS(=O)CC2)c[nH]1.
What is the InChIKey of 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide?
The InChIKey is KRKHWNKDYAHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c13-10-2-1-9(7-11-10)18(15,16)12-8-3-5-17(14)6-4-8/h1-2,7-8,12H,3-6H2,(H,11,13).
What are the key properties of 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide has a molecular weight of 290.37 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 113480438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).