1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine

C13H20ClNS — CID 107450157

IUPAC1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2sccc2Cl)C1
InChIInChI=1S/C13H20ClNS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyMOUKCCUHNDBIIR-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.40
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine

1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450157) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450157
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2sccc2Cl)C1
InChIInChI=1S/C13H20ClNS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyMOUKCCUHNDBIIR-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-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

1-Thiophen-2-ylcyclohexan-1-amine;hydrochloride
CID 45259890
2-Methyl-1-(2-thienyl)-1-phenylpropylamine
CID 129739121
1-(5-Chlorothiophen-2-yl)-2-(3-fluorophenyl)propan-2-amine
CID 55096490
1-(5-Chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine
CID 62621992
1-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine
CID 62621997
1-[(5-Chlorothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759017
1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine
CID 80206369
1-(5-Chlorothiophen-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80287688
1-(5-Chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 80287784
1-(5-Chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine
CID 80288471
1-(5-Chlorothiophen-2-yl)-1-(4-fluorophenyl)ethanamine
CID 80288565
1-(5-Chlorothiophen-2-yl)-1-(3-fluorophenyl)ethanamine
CID 80288668

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107450157) is 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(c2sccc2Cl)C1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is MOUKCCUHNDBIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10H,3-4,6,8,15H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine?
1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).