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

C12H18N2OS — CID 141330977

IUPAC1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCCC2)C1S
InChIInChI=1S/C12H18N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9,12,16H,1-3,5-6H2,(H2,13,15)
InChIKeyBDVDHXMKLKRIQX-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.82
Rot. Bonds2

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

1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330977) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330977
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C2CCCCC2)C1S
InChIInChI=1S/C12H18N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9,12,16H,1-3,5-6H2,(H2,13,15)
InChIKeyBDVDHXMKLKRIQX-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.82
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-Cycloheptyl-2-sulfanylidenepyridine-3-carboxamide
CID 45086853
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-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-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330992
1-Cyclohexyl-2-oxopyridine-3-carboxamide
CID 143775470

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330977) is 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(C2CCCCC2)C1S.
What is the InChIKey of 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is BDVDHXMKLKRIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9,12,16H,1-3,5-6H2,(H2,13,15).
What are the key properties of 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).