1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide

C11H16N2OS — CID 141330992

IUPAC1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCC2)C1S
InChIInChI=1S/C11H16N2OS/c12-10(14)9-6-3-7-13(11(9)15)8-4-1-2-5-8/h3,6-8,11,15H,1-2,4-5H2,(H2,12,14)
InChIKeyWZRGINCASODHEB-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.43
Rot. Bonds2

About 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide

1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330992) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330992
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCC2)C1S
InChIInChI=1S/C11H16N2OS/c12-10(14)9-6-3-7-13(11(9)15)8-4-1-2-5-8/h3,6-8,11,15H,1-2,4-5H2,(H2,12,14)
InChIKeyWZRGINCASODHEB-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330971
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330977
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330979
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330980
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330982
1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330989
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990
1-Pentyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452042
1-Cyclohexyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452052

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330992) is 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(C2CCCC2)C1S.
What is the InChIKey of 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is WZRGINCASODHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-10(14)9-6-3-7-13(11(9)15)8-4-1-2-5-8/h3,6-8,11,15H,1-2,4-5H2,(H2,12,14).
What are the key properties of 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).