N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide

C13H14N2O3S2 — CID 60960278

IUPACN-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)c[nH]1
InChIInChI=1S/C13H14N2O3S2/c16-13-6-5-12(8-14-13)20(17,18)15(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2,(H,14,16)
InChIKeyPNCCLNHNQMKIEF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.79
Rot. Bonds5

About N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide

N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60960278) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
PubChem CID60960278
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)c[nH]1
InChIInChI=1S/C13H14N2O3S2/c16-13-6-5-12(8-14-13)20(17,18)15(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2,(H,14,16)
InChIKeyPNCCLNHNQMKIEF-UHFFFAOYSA-N
XLogP1.79
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56811644
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610883
N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
CID 61253694
N-cyclopentyl-2-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935709
1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide (CID 60960278) is N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)c[nH]1.
What is the InChIKey of N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is PNCCLNHNQMKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-13-6-5-12(8-14-13)20(17,18)15(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2,(H,14,16).
What are the key properties of N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide?
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 310.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60960278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).