3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide

C16H23N3OS — CID 83112832

IUPAC3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc(C(N)=S)c2)CCCC1
InChIInChI=1S/C16H23N3OS/c1-19(2)16(8-3-4-9-16)11-18-15(20)13-7-5-6-12(10-13)14(17)21/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyYIQHHPBTQVDZOM-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.92
Rot. Bonds5

About 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide

3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide (PubChem CID 83112832) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
PubChem CID83112832
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc(C(N)=S)c2)CCCC1
InChIInChI=1S/C16H23N3OS/c1-19(2)16(8-3-4-9-16)11-18-15(20)13-7-5-6-12(10-13)14(17)21/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyYIQHHPBTQVDZOM-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide 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

3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
3-carbamothioyl-N-(2,2-dimethylpropyl)benzamide
CID 61167657
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide?
The IUPAC name of 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide (CID 83112832) is 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide is CN(C)C1(CNC(=O)c2cccc(C(N)=S)c2)CCCC1.
What is the InChIKey of 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide?
The InChIKey is YIQHHPBTQVDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-19(2)16(8-3-4-9-16)11-18-15(20)13-7-5-6-12(10-13)14(17)21/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide?
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide has a molecular weight of 305.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 83112832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).