2-(4-methylsulfonylphenyl)propan-2-amine

C10H15NO2S — CID 71048734

IUPAC2-(4-methylsulfonylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-10(2,11)8-4-6-9(7-5-8)14(3,12)13/h4-7H,11H2,1-3H3
InChIKeyVZMSMBZHAHRACO-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)propan-2-amine

2-(4-methylsulfonylphenyl)propan-2-amine (PubChem CID 71048734) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)propan-2-amine
PubChem CID71048734
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(4-methylsulfonylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-10(2,11)8-4-6-9(7-5-8)14(3,12)13/h4-7H,11H2,1-3H3
InChIKeyVZMSMBZHAHRACO-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of 2-(4-methylsulfonylphenyl)propan-2-amine (CID 71048734) is 2-(4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)propan-2-amine is CC(C)(N)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is VZMSMBZHAHRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,11)8-4-6-9(7-5-8)14(3,12)13/h4-7H,11H2,1-3H3.
What are the key properties of 2-(4-methylsulfonylphenyl)propan-2-amine?
2-(4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 71048734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).