1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

C14H21ClN2OS — CID 119694256

IUPAC1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCSc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-18-12-6-4-11(5-7-12)16-13(17)14(10-15)8-2-3-9-14;/h4-7H,2-3,8-10,15H2,1H3,(H,16,17);1H
InChIKeyXCNLGSNEMFUANS-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.29
Rot. Bonds4

About 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119694256) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119694256
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCSc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-18-12-6-4-11(5-7-12)16-13(17)14(10-15)8-2-3-9-14;/h4-7H,2-3,8-10,15H2,1H3,(H,16,17);1H
InChIKeyXCNLGSNEMFUANS-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 115183938
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119694256) is 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is CSc1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl.
What is the InChIKey of 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XCNLGSNEMFUANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-18-12-6-4-11(5-7-12)16-13(17)14(10-15)8-2-3-9-14;/h4-7H,2-3,8-10,15H2,1H3,(H,16,17);1H.
What are the key properties of 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).