3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C15H25ClN2OS — CID 119719881

IUPAC3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2CCCC(N)C2)c(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-9-7-14(11(3)19-9)10(2)17-15(18)12-5-4-6-13(16)8-12;/h7,10,12-13H,4-6,8,16H2,1-3H3,(H,17,18);1H
InChIKeySSERFLKXKOBIRE-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.48
Rot. Bonds3

About 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119719881) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119719881
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2CCCC(N)C2)c(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-9-7-14(11(3)19-9)10(2)17-15(18)12-5-4-6-13(16)8-12;/h7,10,12-13H,4-6,8,16H2,1-3H3,(H,17,18);1H
InChIKeySSERFLKXKOBIRE-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120974946
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
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3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
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2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119719881) is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is Cc1cc(C(C)NC(=O)C2CCCC(N)C2)c(C)s1.Cl.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SSERFLKXKOBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-9-7-14(11(3)19-9)10(2)17-15(18)12-5-4-6-13(16)8-12;/h7,10,12-13H,4-6,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119719881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).