2-methylsulfonyl-2-phenylethanamine

C9H13NO2S — CID 19104070

IUPAC2-methylsulfonyl-2-phenylethanamine
SMILESCS(=O)(=O)C(CN)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-13(11,12)9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyLCSTUHDZSVXWOA-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.73
Rot. Bonds3

About 2-methylsulfonyl-2-phenylethanamine

2-methylsulfonyl-2-phenylethanamine (PubChem CID 19104070) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methylsulfonyl-2-phenylethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-2-phenylethanamine
PubChem CID19104070
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methylsulfonyl-2-phenylethanamine
SMILESCS(=O)(=O)C(CN)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-13(11,12)9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyLCSTUHDZSVXWOA-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-2-phenylethanamine?
The IUPAC name of 2-methylsulfonyl-2-phenylethanamine (CID 19104070) is 2-methylsulfonyl-2-phenylethanamine.
What is the SMILES notation for 2-methylsulfonyl-2-phenylethanamine?
The canonical SMILES for 2-methylsulfonyl-2-phenylethanamine is CS(=O)(=O)C(CN)c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-2-phenylethanamine?
The InChIKey is LCSTUHDZSVXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-13(11,12)9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3.
What are the key properties of 2-methylsulfonyl-2-phenylethanamine?
2-methylsulfonyl-2-phenylethanamine has a molecular weight of 199.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-2-phenylethanamine is sourced from PubChem (CID 19104070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).