2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H22ClNS — CID 82687264

IUPAC2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC1CCCC(NC2CCCc3sc(Cl)cc32)C1
InChIInChI=1S/C15H22ClNS/c1-10-4-2-5-11(8-10)17-13-6-3-7-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3
InChIKeyIAVUMKGTISLDDG-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.95
Rot. Bonds2

About 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82687264) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82687264
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC1CCCC(NC2CCCc3sc(Cl)cc32)C1
InChIInChI=1S/C15H22ClNS/c1-10-4-2-5-11(8-10)17-13-6-3-7-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3
InChIKeyIAVUMKGTISLDDG-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-(3-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82687264) is 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC1CCCC(NC2CCCc3sc(Cl)cc32)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is IAVUMKGTISLDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-10-4-2-5-11(8-10)17-13-6-3-7-14-12(13)9-15(16)18-14/h9-11,13,17H,2-8H2,1H3.
What are the key properties of 2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-chloro-N-(3-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-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82687264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).