(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide

C23H25NOS2 — CID 25193676

IUPAC(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
SMILESCS[C@H](c1ccccc1)[C@](C)(N[S@@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H25NOS2/c1-18-14-16-21(17-15-18)27(25)24-23(2,20-12-8-5-9-13-20)22(26-3)19-10-6-4-7-11-19/h4-17,22,24H,1-3H3/t22-,23-,27+/m1/s1
InChIKeyRLJWLFZFCNTMPG-NOTUOJBMSA-N
MW395.59 g/mol
LogP5.63
Rot. Bonds7

About (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide

(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide (PubChem CID 25193676) has the molecular formula C23H25NOS2 and a molecular weight of 395.59 g/mol. Its IUPAC name is (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
PubChem CID25193676
Molecular FormulaC23H25NOS2
Molecular Weight395.59 g/mol
Exact Mass395.14
IUPAC Name(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
SMILESCS[C@H](c1ccccc1)[C@](C)(N[S@@](=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H25NOS2/c1-18-14-16-21(17-15-18)27(25)24-23(2,20-12-8-5-9-13-20)22(26-3)19-10-6-4-7-11-19/h4-17,22,24H,1-3H3/t22-,23-,27+/m1/s1
InChIKeyRLJWLFZFCNTMPG-NOTUOJBMSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide?
The IUPAC name of (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide (CID 25193676) is (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide.
What is the SMILES notation for (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide?
The canonical SMILES for (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide is CS[C@H](c1ccccc1)[C@](C)(N[S@@](=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide?
The InChIKey is RLJWLFZFCNTMPG-NOTUOJBMSA-N. The full InChI is InChI=1S/C23H25NOS2/c1-18-14-16-21(17-15-18)27(25)24-23(2,20-12-8-5-9-13-20)22(26-3)19-10-6-4-7-11-19/h4-17,22,24H,1-3H3/t22-,23-,27+/m1/s1.
What are the key properties of (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide?
(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide has a molecular weight of 395.59 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide is sourced from PubChem (CID 25193676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).