N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine

C10H15NO2S — CID 71133485

IUPACN,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCN(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-11(2)8-9-4-6-10(7-5-9)14(3,12)13/h4-7H,8H2,1-3H3
InChIKeyLTOUPBMGXUVYCZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.15
Rot. Bonds3

About N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine

N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 71133485) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID71133485
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCN(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-11(2)8-9-4-6-10(7-5-9)14(3,12)13/h4-7H,8H2,1-3H3
InChIKeyLTOUPBMGXUVYCZ-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine (CID 71133485) is N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine is CN(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is LTOUPBMGXUVYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(2)8-9-4-6-10(7-5-9)14(3,12)13/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine?
N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 213.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 71133485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).