[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine

C11H13NO2S2 — CID 117181413

IUPAC[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESCS(=O)(=O)Cc1csc2c(CN)cccc12
InChIInChI=1S/C11H13NO2S2/c1-16(13,14)7-9-6-15-11-8(5-12)3-2-4-10(9)11/h2-4,6H,5,7,12H2,1H3
InChIKeyGXIKHRABHRZVPL-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.90
Rot. Bonds3

About [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine

[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine (PubChem CID 117181413) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound Name[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
PubChem CID117181413
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC Name[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESCS(=O)(=O)Cc1csc2c(CN)cccc12
InChIInChI=1S/C11H13NO2S2/c1-16(13,14)7-9-6-15-11-8(5-12)3-2-4-10(9)11/h2-4,6H,5,7,12H2,1H3
InChIKeyGXIKHRABHRZVPL-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine 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

[3-(ethylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117181414
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
7-(aminomethyl)-1-benzothiophene-3-carboxylic acid
CID 84779591
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335
(7-nitro-1-benzothiophen-3-yl)methanamine
CID 119082910
3-(ethylsulfanylmethyl)-1-benzothiophen-7-amine
CID 117181577
5-methyl-3-(methylsulfonylmethyl)-1-benzothiophene
CID 117185057
[2-(methylsulfonylmethyl)-1,1-dioxo-1-benzothiophen-4-yl]methanamine
CID 117172472

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine?
The IUPAC name of [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine (CID 117181413) is [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine is CS(=O)(=O)Cc1csc2c(CN)cccc12.
What is the InChIKey of [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine?
The InChIKey is GXIKHRABHRZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-16(13,14)7-9-6-15-11-8(5-12)3-2-4-10(9)11/h2-4,6H,5,7,12H2,1H3.
What are the key properties of [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine?
[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 117181413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).