1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride

C12H19ClN2O2S — CID 119332175

IUPAC1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2ccsc2)CCCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-12(4-1-2-5-12)11(16)14-7-10(15)9-3-6-17-8-9;/h3,6,8,10,15H,1-2,4-5,7,13H2,(H,14,16);1H
InChIKeyVVKKPWSAYJCWRN-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.59
Rot. Bonds4

About 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride

1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119332175) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119332175
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2ccsc2)CCCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-12(4-1-2-5-12)11(16)14-7-10(15)9-3-6-17-8-9;/h3,6,8,10,15H,1-2,4-5,7,13H2,(H,14,16);1H
InChIKeyVVKKPWSAYJCWRN-UHFFFAOYSA-N
XLogP1.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
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1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
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1-amino-N-thiophen-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119326724
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride (CID 119332175) is 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(O)c2ccsc2)CCCC1.
What is the InChIKey of 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VVKKPWSAYJCWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c13-12(4-1-2-5-12)11(16)14-7-10(15)9-3-6-17-8-9;/h3,6,8,10,15H,1-2,4-5,7,13H2,(H,14,16);1H.
What are the key properties of 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119332175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).