N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide

C15H18N2O2S — CID 11226764

IUPACN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15,17H,16H2,1H3/t14-,15-/m0/s1
InChIKeyFSRRNSLQEDUDTP-GJZGRUSLSA-N
MW290.39 g/mol
LogP1.98
Rot. Bonds5

About N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide

N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide (PubChem CID 11226764) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide
PubChem CID11226764
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15,17H,16H2,1H3/t14-,15-/m0/s1
InChIKeyFSRRNSLQEDUDTP-GJZGRUSLSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide (CID 11226764) is N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide is CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide?
The InChIKey is FSRRNSLQEDUDTP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15,17H,16H2,1H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide?
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide is sourced from PubChem (CID 11226764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).