2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H22ClNS — CID 82686258

IUPAC2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC1CCC(NC2CCCc3sc(Cl)cc32)CC1
InChIInChI=1S/C15H22ClNS/c1-10-5-7-11(8-6-10)17-13-3-2-4-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3
InChIKeyHZARAKPIYUVXSP-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.95
Rot. Bonds2

About 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82686258) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82686258
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC1CCC(NC2CCCc3sc(Cl)cc32)CC1
InChIInChI=1S/C15H22ClNS/c1-10-5-7-11(8-6-10)17-13-3-2-4-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3
InChIKeyHZARAKPIYUVXSP-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine 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-chloro-N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690575
4-N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)cyclohexane-1,4-diamine
CID 82689761
2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687264
2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252766
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252369
N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 83910674
2-chloro-N-pentan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687335
2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686841
tert-butyl 3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]pyrrolidine-1-carboxylate
CID 107239349
2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686248
2-chloro-N-(2-methylprop-2-enyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114615539
2-bromo-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82686258) is 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC1CCC(NC2CCCc3sc(Cl)cc32)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is HZARAKPIYUVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-10-5-7-11(8-6-10)17-13-3-2-4-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3.
What are the key properties of 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 283.87 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).