1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride

C19H29ClN2OS — CID 119534547

IUPAC1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(SC2(C(=O)NCCC3CCNC3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2OS.ClH/c1-15-4-6-17(7-5-15)23-19(10-2-3-11-19)18(22)21-13-9-16-8-12-20-14-16;/h4-7,16,20H,2-3,8-14H2,1H3,(H,21,22);1H
InChIKeyPPADDVGKUJXZPD-UHFFFAOYSA-N
MW368.97 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride

1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119534547) has the molecular formula C19H29ClN2OS and a molecular weight of 368.97 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119534547
Molecular FormulaC19H29ClN2OS
Molecular Weight368.97 g/mol
Exact Mass368.17
IUPAC Name1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(SC2(C(=O)NCCC3CCNC3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2OS.ClH/c1-15-4-6-17(7-5-15)23-19(10-2-3-11-19)18(22)21-13-9-16-8-12-20-14-16;/h4-7,16,20H,2-3,8-14H2,1H3,(H,21,22);1H
InChIKeyPPADDVGKUJXZPD-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556086
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride (CID 119534547) is 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride is Cc1ccc(SC2(C(=O)NCCC3CCNC3)CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PPADDVGKUJXZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS.ClH/c1-15-4-6-17(7-5-15)23-19(10-2-3-11-19)18(22)21-13-9-16-8-12-20-14-16;/h4-7,16,20H,2-3,8-14H2,1H3,(H,21,22);1H.
What are the key properties of 1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride?
1-(4-methylphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 368.97 g/mol, XLogP of 3.94, 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-pyrrolidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119534547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).