N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H18N2O3S — CID 63831451

IUPACN-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C12H18N2O3S/c1-12(6-2-3-7-12)9-14-18(16,17)10-4-5-11(15)13-8-10/h4-5,8,14H,2-3,6-7,9H2,1H3,(H,13,15)
InChIKeyQBYWSKPPUGLNHD-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.23
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 63831451) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID63831451
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C12H18N2O3S/c1-12(6-2-3-7-12)9-14-18(16,17)10-4-5-11(15)13-8-10/h4-5,8,14H,2-3,6-7,9H2,1H3,(H,13,15)
InChIKeyQBYWSKPPUGLNHD-UHFFFAOYSA-N
XLogP1.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 105419964
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 62521621
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 114108588
N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 81040838
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 63831451) is N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CC1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QBYWSKPPUGLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(6-2-3-7-12)9-14-18(16,17)10-4-5-11(15)13-8-10/h4-5,8,14H,2-3,6-7,9H2,1H3,(H,13,15).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 63831451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).