N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide

C15H21N3OS — CID 61123788

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)n1
InChIInChI=1S/C15H21N3OS/c1-10-6-5-9-12(17-10)15(19)18-13(14(16)20)11-7-3-2-4-8-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H2,16,20)(H,18,19)
InChIKeyVYQCMGBJAHQJLG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.35
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide (PubChem CID 61123788) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
PubChem CID61123788
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)n1
InChIInChI=1S/C15H21N3OS/c1-10-6-5-9-12(17-10)15(19)18-13(14(16)20)11-7-3-2-4-8-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H2,16,20)(H,18,19)
InChIKeyVYQCMGBJAHQJLG-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.35
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)-2-hydroxy-3-methylbenzamide
CID 61122011
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-5-methylfuran-2-carboxamide
CID 61123403
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
CID 61122787
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-methoxybenzamide
CID 61123002
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-4-methylbenzamide
CID 61122205
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide (CID 61123788) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)n1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide?
The InChIKey is VYQCMGBJAHQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-6-5-9-12(17-10)15(19)18-13(14(16)20)11-7-3-2-4-8-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.35, 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)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 61123788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).