N-methyl-1-(3-methylsulfonylphenyl)methanamine

C9H13NO2S — CID 58293040

IUPACN-methyl-1-(3-methylsulfonylphenyl)methanamine
SMILESCNCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H13NO2S/c1-10-7-8-4-3-5-9(6-8)13(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyFKWPPZXDKXWAQE-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-1-(3-methylsulfonylphenyl)methanamine

N-methyl-1-(3-methylsulfonylphenyl)methanamine (PubChem CID 58293040) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfonylphenyl)methanamine
PubChem CID58293040
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN-methyl-1-(3-methylsulfonylphenyl)methanamine
SMILESCNCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H13NO2S/c1-10-7-8-4-3-5-9(6-8)13(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyFKWPPZXDKXWAQE-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 ≤ 500199.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylaminomethyl)benzenesulfonic acid
CID 19897302
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N'-[(3-methylsulfonylphenyl)methyl]oxamide
CID 168950555
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylsulfonylphenyl)methanamine (CID 58293040) is N-methyl-1-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylsulfonylphenyl)methanamine is CNCc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The InChIKey is FKWPPZXDKXWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10-7-8-4-3-5-9(6-8)13(2,11)12/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylsulfonylphenyl)methanamine?
N-methyl-1-(3-methylsulfonylphenyl)methanamine has a molecular weight of 199.27 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-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 58293040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).