[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine

C12H19NO2S — CID 115044421

IUPAC[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
SMILESCC(C)(CS(C)(=O)=O)c1cccc(CN)c1
InChIInChI=1S/C12H19NO2S/c1-12(2,9-16(3,14)15)11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyGPDNCKAYUSRAJG-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.47
Rot. Bonds4

About [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine

[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine (PubChem CID 115044421) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
PubChem CID115044421
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
SMILESCC(C)(CS(C)(=O)=O)c1cccc(CN)c1
InChIInChI=1S/C12H19NO2S/c1-12(2,9-16(3,14)15)11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyGPDNCKAYUSRAJG-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
CID 115036820
[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide
CID 91557158
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
[3-(2-methylsulfonylethyl)phenyl]methanamine
CID 115028445
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
CID 84706979
(3-tert-butylphenyl)methanesulfonamide
CID 58532418
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
CID 90916438
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
CID 150028791

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine (CID 115044421) is [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine is CC(C)(CS(C)(=O)=O)c1cccc(CN)c1.
What is the InChIKey of [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine?
The InChIKey is GPDNCKAYUSRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,9-16(3,14)15)11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine?
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 115044421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).