[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine

C12H16N2O2S — CID 117183419

IUPAC[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine
SMILESCn1c(CS(C)(=O)=O)cc2cccc(CN)c21
InChIInChI=1S/C12H16N2O2S/c1-14-11(8-17(2,15)16)6-9-4-3-5-10(7-13)12(9)14/h3-6H,7-8,13H2,1-2H3
InChIKeyNYRRYRSDKBCNPM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.18
Rot. Bonds3

About [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine

[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine (PubChem CID 117183419) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine
PubChem CID117183419
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine
SMILESCn1c(CS(C)(=O)=O)cc2cccc(CN)c21
InChIInChI=1S/C12H16N2O2S/c1-14-11(8-17(2,15)16)6-9-4-3-5-10(7-13)12(9)14/h3-6H,7-8,13H2,1-2H3
InChIKeyNYRRYRSDKBCNPM-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-methyl-2-(methylsulfonylmethyl)indol-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

[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
[1-methyl-2-(2-methylsulfonylpropan-2-yl)benzimidazol-4-yl]methanamine
CID 104721492
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one
CID 63196079
[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117181413
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
CID 115023405
[5-bromo-2-(methylsulfonylmethyl)phenyl]methanamine
CID 130559975

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine?
The IUPAC name of [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine (CID 117183419) is [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine?
The canonical SMILES for [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine is Cn1c(CS(C)(=O)=O)cc2cccc(CN)c21.
What is the InChIKey of [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine?
The InChIKey is NYRRYRSDKBCNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14-11(8-17(2,15)16)6-9-4-3-5-10(7-13)12(9)14/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine?
[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine is sourced from PubChem (CID 117183419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).