3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

C15H23ClN2OS — CID 119797989

IUPAC3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10(2)19-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyAIDZROMWCIVVCS-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.67
Rot. Bonds4

About 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119797989) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119797989
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10(2)19-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyAIDZROMWCIVVCS-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
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N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119797989) is 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is CC(C)Sc1ccccc1NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AIDZROMWCIVVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-10(2)19-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 3.67, 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-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119797989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).