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

C14H22N2OS — CID 64551642

IUPAC1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-7-14(15,10-11)13(17)16-8-6-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10,15H2,1H3,(H,16,17)
InChIKeyJAMDUOQSHWZDAL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.31
Rot. Bonds4

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

1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 64551642) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID64551642
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-7-14(15,10-11)13(17)16-8-6-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10,15H2,1H3,(H,16,17)
InChIKeyJAMDUOQSHWZDAL-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103809476
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
1-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 64550463
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
CID 63776047
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81400568
2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 42910761

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (CID 64551642) is 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCc2cccs2)C1.
What is the InChIKey of 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is JAMDUOQSHWZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-2-7-14(15,10-11)13(17)16-8-6-12-5-3-9-18-12/h3,5,9,11H,2,4,6-8,10,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.31, 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-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64551642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).