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

C15H24N2OS — CID 64553804

IUPAC1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC(C)Cc2ccsc2)C1
InChIInChI=1S/C15H24N2OS/c1-11-4-3-6-15(16,9-11)14(18)17-12(2)8-13-5-7-19-10-13/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyGNPMZZYPIGLSFV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.70
Rot. Bonds4

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

1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 64553804) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID64553804
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC(C)Cc2ccsc2)C1
InChIInChI=1S/C15H24N2OS/c1-11-4-3-6-15(16,9-11)14(18)17-12(2)8-13-5-7-19-10-13/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyGNPMZZYPIGLSFV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 64550653
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 64552964
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 64551440
1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 64551081
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 64553804) is 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NC(C)Cc2ccsc2)C1.
What is the InChIKey of 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is GNPMZZYPIGLSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-4-3-6-15(16,9-11)14(18)17-12(2)8-13-5-7-19-10-13/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64553804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).