1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide

C14H21ClN2OS — CID 103809476

IUPAC1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C14H21ClN2OS/c1-10-3-2-7-14(16,9-10)13(18)17-8-6-11-4-5-12(15)19-11/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,18)
InChIKeyZHYOUOVAIXNRSO-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.97
Rot. Bonds4

About 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 103809476) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID103809476
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C14H21ClN2OS/c1-10-3-2-7-14(16,9-10)13(18)17-8-6-11-4-5-12(15)19-11/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,18)
InChIKeyZHYOUOVAIXNRSO-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
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-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 106041309
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide (CID 103809476) is 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCc2ccc(Cl)s2)C1.
What is the InChIKey of 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is ZHYOUOVAIXNRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-10-3-2-7-14(16,9-10)13(18)17-8-6-11-4-5-12(15)19-11/h4-5,10H,2-3,6-9,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 300.85 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103809476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).