N-methyl-1-(4-methylsulfonylphenyl)methanamine

C9H13NO2S — CID 22386825

IUPACN-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-10-7-8-3-5-9(6-4-8)13(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyFCSGUPZFOJUBOL-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-1-(4-methylsulfonylphenyl)methanamine

N-methyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 22386825) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID22386825
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-10-7-8-3-5-9(6-4-8)13(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyFCSGUPZFOJUBOL-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)methanamine (CID 22386825) is N-methyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)methanamine is CNCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is FCSGUPZFOJUBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10-7-8-3-5-9(6-4-8)13(2,11)12/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)methanamine?
N-methyl-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 199.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 22386825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).