[2-(methylsulfonylmethyl)phenyl]methanamine

C9H13NO2S — CID 64697035

IUPAC[2-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C9H13NO2S/c1-13(11,12)7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3
InChIKeyIHDICKBHPLOLJL-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.69
Rot. Bonds3

About [2-(methylsulfonylmethyl)phenyl]methanamine

[2-(methylsulfonylmethyl)phenyl]methanamine (PubChem CID 64697035) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is [2-(methylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(methylsulfonylmethyl)phenyl]methanamine
PubChem CID64697035
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name[2-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C9H13NO2S/c1-13(11,12)7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3
InChIKeyIHDICKBHPLOLJL-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
CID 64698409
[2-(tert-butylsulfonylmethyl)phenyl]methanamine
CID 64697384
[5-bromo-2-(methylsulfonylmethyl)phenyl]methanamine
CID 130559975
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117181413
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
[2-(methylsulfonylmethyl)-1,1-dioxo-1-benzothiophen-4-yl]methanamine
CID 117172472
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483
4-[2-(methylsulfonylmethyl)phenyl]but-3-en-1-amine
CID 170487431
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628

Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-(methylsulfonylmethyl)phenyl]methanamine (CID 64697035) is [2-(methylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(methylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(methylsulfonylmethyl)phenyl]methanamine is CS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of [2-(methylsulfonylmethyl)phenyl]methanamine?
The InChIKey is IHDICKBHPLOLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-13(11,12)7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3.
What are the key properties of [2-(methylsulfonylmethyl)phenyl]methanamine?
[2-(methylsulfonylmethyl)phenyl]methanamine has a molecular weight of 199.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64697035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).