3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C15H23ClN2O2S — CID 119807766

IUPAC3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(S(C)=O)cc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-17(15(18)12-5-6-13(16)9-12)10-11-3-7-14(8-4-11)20(2)19;/h3-4,7-8,12-13H,5-6,9-10,16H2,1-2H3;1H
InChIKeyOJQZOVAHYWLBQR-UHFFFAOYSA-N
MW330.88 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119807766) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119807766
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(S(C)=O)cc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-17(15(18)12-5-6-13(16)9-12)10-11-3-7-14(8-4-11)20(2)19;/h3-4,7-8,12-13H,5-6,9-10,16H2,1-2H3;1H
InChIKeyOJQZOVAHYWLBQR-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337338
3-amino-N,2-dimethyl-N-[(4-methylsulfinylphenyl)methyl]butanamide
CID 120501779
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119807766) is 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is CN(Cc1ccc(S(C)=O)cc1)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is OJQZOVAHYWLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-17(15(18)12-5-6-13(16)9-12)10-11-3-7-14(8-4-11)20(2)19;/h3-4,7-8,12-13H,5-6,9-10,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119807766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).