2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine

C12H19NO2S — CID 117036213

IUPAC2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine
SMILESCc1cc(C)c(S(=O)(=O)C(C)(C)N)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12(4,5)13/h6-7H,13H2,1-5H3
InChIKeyIUJJPYNKMZOCSB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine

2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine (PubChem CID 117036213) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine
PubChem CID117036213
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine
SMILESCc1cc(C)c(S(=O)(=O)C(C)(C)N)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12(4,5)13/h6-7H,13H2,1-5H3
InChIKeyIUJJPYNKMZOCSB-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
amino 2,4,6-trimethylbenzenesulfonate
CID 11830845
methyl 2-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 141030376
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120711475
2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 61263608
2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
CID 117036219
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
CID 117037386
amino 2,4,6-trimethylbenzenesulfonate;methyl 2,4,6-trimethylbenzenesulfonate
CID 163939417
5-(2,4,6-trimethylphenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967629
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine?
The IUPAC name of 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine (CID 117036213) is 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine is Cc1cc(C)c(S(=O)(=O)C(C)(C)N)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine?
The InChIKey is IUJJPYNKMZOCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-6-9(2)11(10(3)7-8)16(14,15)12(4,5)13/h6-7H,13H2,1-5H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine?
2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine is sourced from PubChem (CID 117036213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).