N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

C12H16N2O2S — CID 7795637

IUPACN-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESO=C(CSc1cccc[n+]1[O-])NC1CCCC1
InChIInChI=1S/C12H16N2O2S/c15-11(13-10-5-1-2-6-10)9-17-12-7-3-4-8-14(12)16/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,15)
InChIKeyFYIDDAAKSWYRAZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.47
Rot. Bonds4

About N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (PubChem CID 7795637) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
PubChem CID7795637
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESO=C(CSc1cccc[n+]1[O-])NC1CCCC1
InChIInChI=1S/C12H16N2O2S/c15-11(13-10-5-1-2-6-10)9-17-12-7-3-4-8-14(12)16/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,15)
InChIKeyFYIDDAAKSWYRAZ-UHFFFAOYSA-N
XLogP1.47
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 75363992
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 6598224
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
N-[4-(dimethylamino)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3903664
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-methyl-4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzamide
CID 9288749
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (CID 7795637) is N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is O=C(CSc1cccc[n+]1[O-])NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The InChIKey is FYIDDAAKSWYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-11(13-10-5-1-2-6-10)9-17-12-7-3-4-8-14(12)16/h3-4,7-8,10H,1-2,5-6,9H2,(H,13,15).
What are the key properties of N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is sourced from PubChem (CID 7795637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).