3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide

C15H24N2OS — CID 80527416

IUPAC3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CCCC(N)C1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-15(2,13-7-4-8-19-13)10-17-14(18)11-5-3-6-12(16)9-11/h4,7-8,11-12H,3,5-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyMNNIZDZMVDCLKN-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide

3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 80527416) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
PubChem CID80527416
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CCCC(N)C1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-15(2,13-7-4-8-19-13)10-17-14(18)11-5-3-6-12(16)9-11/h4,7-8,11-12H,3,5-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyMNNIZDZMVDCLKN-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
CID 80527266
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 66174277
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide (CID 80527416) is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide is CC(C)(CNC(=O)C1CCCC(N)C1)c1cccs1.
What is the InChIKey of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is MNNIZDZMVDCLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,13-7-4-8-19-13)10-17-14(18)11-5-3-6-12(16)9-11/h4,7-8,11-12H,3,5-6,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80527416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).