1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide

C16H22N2OS — CID 62313942

IUPAC1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2(C(N)=S)CCCC2)c1
InChIInChI=1S/C16H22N2OS/c1-12-5-4-6-13(11-12)7-10-18-15(19)16(14(17)20)8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyVXSPUHJLMHGXDM-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.50
Rot. Bonds5

About 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide

1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 62313942) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID62313942
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2(C(N)=S)CCCC2)c1
InChIInChI=1S/C16H22N2OS/c1-12-5-4-6-13(11-12)7-10-18-15(19)16(14(17)20)8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyVXSPUHJLMHGXDM-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 64679676
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
CID 62388197
1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
CID 114999787
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide (CID 62313942) is 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide is Cc1cccc(CCNC(=O)C2(C(N)=S)CCCC2)c1.
What is the InChIKey of 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is VXSPUHJLMHGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-4-6-13(11-12)7-10-18-15(19)16(14(17)20)8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide?
1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 62313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).