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

C13H19ClN2OS — CID 103809468

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H19ClN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h4-5,9-10H,1-3,6-8,15H2,(H,16,17)
InChIKeyVGHJOWRBWCUUEQ-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.58
Rot. Bonds4

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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 103809468) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID103809468
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C13H19ClN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h4-5,9-10H,1-3,6-8,15H2,(H,16,17)
InChIKeyVGHJOWRBWCUUEQ-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
CID 119696591
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 115161504
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039971
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549
N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119296186
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106047850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide (CID 103809468) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCc2ccc(Cl)s2)C1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VGHJOWRBWCUUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c14-12-5-4-11(18-12)6-7-16-13(17)9-2-1-3-10(15)8-9/h4-5,9-10H,1-3,6-8,15H2,(H,16,17).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.58, 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-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103809468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).