2-methylsulfonyl-1,2-diphenylethanamine

C15H17NO2S — CID 55112040

IUPAC2-methylsulfonyl-1,2-diphenylethanamine
SMILESCS(=O)(=O)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3
InChIKeySJTFQDOISANBHP-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.47
Rot. Bonds4

About 2-methylsulfonyl-1,2-diphenylethanamine

2-methylsulfonyl-1,2-diphenylethanamine (PubChem CID 55112040) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methylsulfonyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-1,2-diphenylethanamine
PubChem CID55112040
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-methylsulfonyl-1,2-diphenylethanamine
SMILESCS(=O)(=O)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3
InChIKeySJTFQDOISANBHP-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate
CID 101113765
(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
2-amino-1-phenylpropane-1-sulfonyl fluoride
CID 87118125
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide
CID 92524263
1,2,3-triphenylpropane-1,3-diamine
CID 67052848
(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine
CID 132939131
phenylmethanediamine;sulfuric acid
CID 173298028
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
CID 71744476
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1,2-diphenylethanamine?
The IUPAC name of 2-methylsulfonyl-1,2-diphenylethanamine (CID 55112040) is 2-methylsulfonyl-1,2-diphenylethanamine.
What is the SMILES notation for 2-methylsulfonyl-1,2-diphenylethanamine?
The canonical SMILES for 2-methylsulfonyl-1,2-diphenylethanamine is CS(=O)(=O)C(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-1,2-diphenylethanamine?
The InChIKey is SJTFQDOISANBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-19(17,18)15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3.
What are the key properties of 2-methylsulfonyl-1,2-diphenylethanamine?
2-methylsulfonyl-1,2-diphenylethanamine has a molecular weight of 275.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1,2-diphenylethanamine is sourced from PubChem (CID 55112040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).