N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine

C12H15NS2 — CID 134315239

IUPACN-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine
SMILESCSC(C)CNc1cccc2sccc12
InChIInChI=1S/C12H15NS2/c1-9(14-2)8-13-11-4-3-5-12-10(11)6-7-15-12/h3-7,9,13H,8H2,1-2H3
InChIKeyLSPLTEZSUTUZIF-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.06
Rot. Bonds4

About N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine

N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine (PubChem CID 134315239) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine
PubChem CID134315239
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC NameN-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine
SMILESCSC(C)CNc1cccc2sccc12
InChIInChI=1S/C12H15NS2/c1-9(14-2)8-13-11-4-3-5-12-10(11)6-7-15-12/h3-7,9,13H,8H2,1-2H3
InChIKeyLSPLTEZSUTUZIF-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfanylpropyl)-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 N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine?
The IUPAC name of N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine (CID 134315239) is N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine is CSC(C)CNc1cccc2sccc12.
What is the InChIKey of N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine?
The InChIKey is LSPLTEZSUTUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-9(14-2)8-13-11-4-3-5-12-10(11)6-7-15-12/h3-7,9,13H,8H2,1-2H3.
What are the key properties of N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine?
N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine has a molecular weight of 237.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine is sourced from PubChem (CID 134315239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).