1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide

C20H30N2OS — CID 119556086

IUPAC1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(SC2(C(=O)NCCC3CCCNC3)CCCC2)cc1
InChIInChI=1S/C20H30N2OS/c1-16-6-8-18(9-7-16)24-20(11-2-3-12-20)19(23)22-14-10-17-5-4-13-21-15-17/h6-9,17,21H,2-5,10-15H2,1H3,(H,22,23)
InChIKeyLRECHJUIKZIHOB-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide

1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide (PubChem CID 119556086) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
PubChem CID119556086
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(SC2(C(=O)NCCC3CCCNC3)CCCC2)cc1
InChIInChI=1S/C20H30N2OS/c1-16-6-8-18(9-7-16)24-20(11-2-3-12-20)19(23)22-14-10-17-5-4-13-21-15-17/h6-9,17,21H,2-5,10-15H2,1H3,(H,22,23)
InChIKeyLRECHJUIKZIHOB-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119534547
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
1-ethyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119559587
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide (CID 119556086) is 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide is Cc1ccc(SC2(C(=O)NCCC3CCCNC3)CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is LRECHJUIKZIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-16-6-8-18(9-7-16)24-20(11-2-3-12-20)19(23)22-14-10-17-5-4-13-21-15-17/h6-9,17,21H,2-5,10-15H2,1H3,(H,22,23).
What are the key properties of 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 346.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119556086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).