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

C11H17NO2S — CID 115036313

IUPAC[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
SMILESCC(C)(c1cccc(CN)c1)S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,15(3,13)14)10-6-4-5-9(7-10)8-12/h4-7H,8,12H2,1-3H3
InChIKeyURQLCFJLLKYHPH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.42
Rot. Bonds3

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

[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine (PubChem CID 115036313) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
PubChem CID115036313
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
SMILESCC(C)(c1cccc(CN)c1)S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,15(3,13)14)10-6-4-5-9(7-10)8-12/h4-7H,8,12H2,1-3H3
InChIKeyURQLCFJLLKYHPH-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
1-[3-(aminomethyl)phenyl]-N-(2-methyl-2-methylsulfonylpropyl)methanesulfonamide
CID 79562254
(3-tert-butylphenyl)methanesulfonamide
CID 58532418
[3-(2-methylsulfonylethyl)phenyl]methanamine
CID 115028445
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
CID 150028791
N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]-2-phenylethenesulfonamide
CID 91557158
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
CID 84706979

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine (CID 115036313) is [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine is CC(C)(c1cccc(CN)c1)S(C)(=O)=O.
What is the InChIKey of [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine?
The InChIKey is URQLCFJLLKYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,15(3,13)14)10-6-4-5-9(7-10)8-12/h4-7H,8,12H2,1-3H3.
What are the key properties of [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine?
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 115036313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).