N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide

C15H22N2S — CID 972135

IUPACN-cyclohexyl-4-(dimethylamino)benzenecarbothioamide
SMILESCN(C)c1ccc(C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-17(2)14-10-8-12(9-11-14)15(18)16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyBYHWNLONXJIXCV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.35
Rot. Bonds3

About N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide

N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide (PubChem CID 972135) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(dimethylamino)benzenecarbothioamide
PubChem CID972135
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-cyclohexyl-4-(dimethylamino)benzenecarbothioamide
SMILESCN(C)c1ccc(C(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-17(2)14-10-8-12(9-11-14)15(18)16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyBYHWNLONXJIXCV-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide 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

N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
Thiobenzanilide
CID 668263
N-(3-Methylphenyl)benzenemethanamine
CID 222281
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
4,4'-Bis(dimethylamino)thiobenzophenone
CID 71045
p-Tolylthiourea
CID 722833
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
2-Mepp
CID 91965

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide?
The IUPAC name of N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide (CID 972135) is N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide.
What is the SMILES notation for N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide?
The canonical SMILES for N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide is CN(C)c1ccc(C(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide?
The InChIKey is BYHWNLONXJIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17(2)14-10-8-12(9-11-14)15(18)16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide?
N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide has a molecular weight of 262.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(dimethylamino)benzenecarbothioamide is sourced from PubChem (CID 972135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).