N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide

C14H19N3OS — CID 61123796

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
SMILESNC(=S)C(NC(=O)c1cccnc1)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c15-13(19)12(10-5-2-1-3-6-10)17-14(18)11-7-4-8-16-9-11/h4,7-10,12H,1-3,5-6H2,(H2,15,19)(H,17,18)
InChIKeyJAHHXGZBULHOPX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.05
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide (PubChem CID 61123796) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
PubChem CID61123796
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
SMILESNC(=S)C(NC(=O)c1cccnc1)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c15-13(19)12(10-5-2-1-3-6-10)17-14(18)11-7-4-8-16-9-11/h4,7-10,12H,1-3,5-6H2,(H2,15,19)(H,17,18)
InChIKeyJAHHXGZBULHOPX-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-methoxybenzamide
CID 61123002
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxypyridine-3-carboxamide
CID 62874305
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
CID 61123788
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938934
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide (CID 61123796) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide is NC(=S)C(NC(=O)c1cccnc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide?
The InChIKey is JAHHXGZBULHOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-13(19)12(10-5-2-1-3-6-10)17-14(18)11-7-4-8-16-9-11/h4,7-10,12H,1-3,5-6H2,(H2,15,19)(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61123796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).