(4-methoxy-2-methylphenyl)sulfonylmethanamine

C9H13NO3S — CID 117036101

IUPAC(4-methoxy-2-methylphenyl)sulfonylmethanamine
SMILESCOc1ccc(S(=O)(=O)CN)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-8(13-2)3-4-9(7)14(11,12)6-10/h3-5H,6,10H2,1-2H3
InChIKeyCONQRDSJEUJQIS-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.69
Rot. Bonds3

About (4-methoxy-2-methylphenyl)sulfonylmethanamine

(4-methoxy-2-methylphenyl)sulfonylmethanamine (PubChem CID 117036101) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)sulfonylmethanamine.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)sulfonylmethanamine
PubChem CID117036101
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(4-methoxy-2-methylphenyl)sulfonylmethanamine
SMILESCOc1ccc(S(=O)(=O)CN)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-8(13-2)3-4-9(7)14(11,12)6-10/h3-5H,6,10H2,1-2H3
InChIKeyCONQRDSJEUJQIS-UHFFFAOYSA-N
XLogP0.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-2-methylphenyl)sulfonylmethanamine 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-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036267
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
[4-(4-methoxy-2-methylphenyl)sulfonyl-3-methylphenyl] acetate
CID 89408239
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)sulfonylmethanamine?
The IUPAC name of (4-methoxy-2-methylphenyl)sulfonylmethanamine (CID 117036101) is (4-methoxy-2-methylphenyl)sulfonylmethanamine.
What is the SMILES notation for (4-methoxy-2-methylphenyl)sulfonylmethanamine?
The canonical SMILES for (4-methoxy-2-methylphenyl)sulfonylmethanamine is COc1ccc(S(=O)(=O)CN)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)sulfonylmethanamine?
The InChIKey is CONQRDSJEUJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-5-8(13-2)3-4-9(7)14(11,12)6-10/h3-5H,6,10H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)sulfonylmethanamine?
(4-methoxy-2-methylphenyl)sulfonylmethanamine has a molecular weight of 215.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)sulfonylmethanamine is sourced from PubChem (CID 117036101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).