3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine

C12H19NO3S — CID 117036267

IUPAC3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)CC(C)CN)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-9(7-13)8-17(14,15)12-5-4-11(16-3)6-10(12)2/h4-6,9H,7-8,13H2,1-3H3
InChIKeyQGJHUCKQMRTXNT-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.37
Rot. Bonds5

About 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine

3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine (PubChem CID 117036267) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
PubChem CID117036267
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)CC(C)CN)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-9(7-13)8-17(14,15)12-5-4-11(16-3)6-10(12)2/h4-6,9H,7-8,13H2,1-3H3
InChIKeyQGJHUCKQMRTXNT-UHFFFAOYSA-N
XLogP1.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-2-methylphenyl)sulfonylmethanamine
CID 117036101
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036265
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine (CID 117036267) is 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine is COc1ccc(S(=O)(=O)CC(C)CN)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The InChIKey is QGJHUCKQMRTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(7-13)8-17(14,15)12-5-4-11(16-3)6-10(12)2/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 117036267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).