2-[cyclohexyl(ethyl)amino]benzenecarbothioamide

C15H22N2S — CID 28601827

IUPAC2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
SMILESCCN(c1ccccc1C(N)=S)C1CCCCC1
InChIInChI=1S/C15H22N2S/c1-2-17(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(16)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,18)
InChIKeyJHTRAKCUAMTYOX-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.48
Rot. Bonds4

About 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide

2-[cyclohexyl(ethyl)amino]benzenecarbothioamide (PubChem CID 28601827) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
PubChem CID28601827
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
SMILESCCN(c1ccccc1C(N)=S)C1CCCCC1
InChIInChI=1S/C15H22N2S/c1-2-17(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(16)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,18)
InChIKeyJHTRAKCUAMTYOX-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[cyclohexyl(ethyl)amino]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

2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
CID 80511920
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
CID 112755316
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63672687
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
2-[cyclopentyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107107840

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide (CID 28601827) is 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide is CCN(c1ccccc1C(N)=S)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide?
The InChIKey is JHTRAKCUAMTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-17(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(16)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,18).
What are the key properties of 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide?
2-[cyclohexyl(ethyl)amino]benzenecarbothioamide has a molecular weight of 262.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]benzenecarbothioamide is sourced from PubChem (CID 28601827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).