1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine

C12H19NO2S — CID 64640027

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-9-5-6-12(7-10(9)2)16(14,15)8-11(3)13-4/h5-7,11,13H,8H2,1-4H3
InChIKeyXJBRKHDHKFFTHU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.69
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine

1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine (PubChem CID 64640027) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
PubChem CID64640027
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-9-5-6-12(7-10(9)2)16(14,15)8-11(3)13-4/h5-7,11,13H,8H2,1-4H3
InChIKeyXJBRKHDHKFFTHU-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
4-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-1,2-dimethylbenzene
CID 64757116
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
4-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonyl-1,2-dimethylbenzene
CID 65016650
1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166
3-(3,4-dimethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853145
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine (CID 64640027) is 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine is CNC(C)CS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine?
The InChIKey is XJBRKHDHKFFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-5-6-12(7-10(9)2)16(14,15)8-11(3)13-4/h5-7,11,13H,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine?
1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine is sourced from PubChem (CID 64640027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).