N-methyl-5,6-dihydro-1-benzothiophen-3-amine

C9H11NS — CID 144698981

IUPACN-methyl-5,6-dihydro-1-benzothiophen-3-amine
SMILESCNc1csc2c1=CCCC=2
InChIInChI=1S/C9H11NS/c1-10-8-6-11-9-5-3-2-4-7(8)9/h4-6,10H,2-3H2,1H3
InChIKeyQWCZVKVQCCHXRJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-5,6-dihydro-1-benzothiophen-3-amine

N-methyl-5,6-dihydro-1-benzothiophen-3-amine (PubChem CID 144698981) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-methyl-5,6-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-methyl-5,6-dihydro-1-benzothiophen-3-amine
PubChem CID144698981
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-methyl-5,6-dihydro-1-benzothiophen-3-amine
SMILESCNc1csc2c1=CCCC=2
InChIInChI=1S/C9H11NS/c1-10-8-6-11-9-5-3-2-4-7(8)9/h4-6,10H,2-3H2,1H3
InChIKeyQWCZVKVQCCHXRJ-UHFFFAOYSA-N
XLogP1.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-5,6-dihydro-1-benzothiophen-3-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

(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
CID 144626603
N-methyl-3-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 155627890
Ethane;3-methyl-5,6-dihydrothieno[3,2-c]pyridine
CID 163392954
N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine
CID 170142680
3-Methyl-5,6-dihydrothieno[3,2-c]pyridine
CID 163392955

Frequently Asked Questions

What is the IUPAC name of N-methyl-5,6-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-methyl-5,6-dihydro-1-benzothiophen-3-amine (CID 144698981) is N-methyl-5,6-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-methyl-5,6-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-methyl-5,6-dihydro-1-benzothiophen-3-amine is CNc1csc2c1=CCCC=2.
What is the InChIKey of N-methyl-5,6-dihydro-1-benzothiophen-3-amine?
The InChIKey is QWCZVKVQCCHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-10-8-6-11-9-5-3-2-4-7(8)9/h4-6,10H,2-3H2,1H3.
What are the key properties of N-methyl-5,6-dihydro-1-benzothiophen-3-amine?
N-methyl-5,6-dihydro-1-benzothiophen-3-amine has a molecular weight of 165.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 144698981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).