4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide

C16H23N3OS — CID 105418027

IUPAC4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H23N3OS/c1-18(2)16(9-4-10-16)11-19(3)15(20)13-7-5-12(6-8-13)14(17)21/h5-8H,4,9-11H2,1-3H3,(H2,17,21)
InChIKeyHCKGXRGBQQRWMI-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.88
Rot. Bonds5

About 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide

4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide (PubChem CID 105418027) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
PubChem CID105418027
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H23N3OS/c1-18(2)16(9-4-10-16)11-19(3)15(20)13-7-5-12(6-8-13)14(17)21/h5-8H,4,9-11H2,1-3H3,(H2,17,21)
InChIKeyHCKGXRGBQQRWMI-UHFFFAOYSA-N
XLogP1.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105417543
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 105416236
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide (CID 105418027) is 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide is CN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
The InChIKey is HCKGXRGBQQRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-18(2)16(9-4-10-16)11-19(3)15(20)13-7-5-12(6-8-13)14(17)21/h5-8H,4,9-11H2,1-3H3,(H2,17,21).
What are the key properties of 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide?
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide has a molecular weight of 305.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 105418027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).