1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide

C13H22N2OS — CID 80589534

IUPAC1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCC2CCCC2)CCC1
InChIInChI=1S/C13H22N2OS/c14-11(17)13(7-3-8-13)12(16)15-9-6-10-4-1-2-5-10/h10H,1-9H2,(H2,14,17)(H,15,16)
InChIKeyCGKJHLQKFHIXFB-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.14
Rot. Bonds5

About 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide (PubChem CID 80589534) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
PubChem CID80589534
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCC2CCCC2)CCC1
InChIInChI=1S/C13H22N2OS/c14-11(17)13(7-3-8-13)12(16)15-9-6-10-4-1-2-5-10/h10H,1-9H2,(H2,14,17)(H,15,16)
InChIKeyCGKJHLQKFHIXFB-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106009983
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
CID 80590816
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184517
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107418708

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide (CID 80589534) is 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide is NC(=S)C1(C(=O)NCCC2CCCC2)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide?
The InChIKey is CGKJHLQKFHIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c14-11(17)13(7-3-8-13)12(16)15-9-6-10-4-1-2-5-10/h10H,1-9H2,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 2.14, 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-cyclopentylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80589534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).