N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide

C12H16N2OS — CID 2303967

IUPACN-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1CCCC1
InChIInChI=1S/C12H16N2OS/c15-11(14-10-5-1-2-6-10)9-16-12-7-3-4-8-13-12/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyKYZUGNHKPCVGIY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide

N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2303967) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID2303967
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1CCCC1
InChIInChI=1S/C12H16N2OS/c15-11(14-10-5-1-2-6-10)9-16-12-7-3-4-8-13-12/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyKYZUGNHKPCVGIY-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide (CID 2303967) is N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KYZUGNHKPCVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-11(14-10-5-1-2-6-10)9-16-12-7-3-4-8-13-12/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15).
What are the key properties of N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide?
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 236.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2303967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).