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

C14H23ClN2OS — CID 119287417

IUPAC1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2(N)CCCC2)c(C)s1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-9-8-12(11(3)18-9)10(2)16-13(17)14(15)6-4-5-7-14;/h8,10H,4-7,15H2,1-3H3,(H,16,17);1H
InChIKeyZCQZNCPXZKUGKG-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.24
Rot. Bonds3

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

1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119287417) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119287417
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2(N)CCCC2)c(C)s1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-9-8-12(11(3)18-9)10(2)16-13(17)14(15)6-4-5-7-14;/h8,10H,4-7,15H2,1-3H3,(H,16,17);1H
InChIKeyZCQZNCPXZKUGKG-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81489633
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621945
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438204
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119327113
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80598884
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719881
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119287417) is 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is Cc1cc(C(C)NC(=O)C2(N)CCCC2)c(C)s1.Cl.
What is the InChIKey of 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ZCQZNCPXZKUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-9-8-12(11(3)18-9)10(2)16-13(17)14(15)6-4-5-7-14;/h8,10H,4-7,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119287417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).