(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one

C20H24N2OS — CID 129376778

IUPAC(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESC[C@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-16(24-18-11-7-4-8-12-18)20(23)22-14-13-21(2)15-19(22)17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m0/s1
InChIKeyOIFMVZZTGYBKFY-LPHOPBHVSA-N
MW340.49 g/mol
LogP3.68
Rot. Bonds4

About (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one

(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one (PubChem CID 129376778) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
PubChem CID129376778
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESC[C@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-16(24-18-11-7-4-8-12-18)20(23)22-14-13-21(2)15-19(22)17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m0/s1
InChIKeyOIFMVZZTGYBKFY-LPHOPBHVSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 106110999
2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 55394367
1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62097275
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The IUPAC name of (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one (CID 129376778) is (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one is C[C@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1.
What is the InChIKey of (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The InChIKey is OIFMVZZTGYBKFY-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16(24-18-11-7-4-8-12-18)20(23)22-14-13-21(2)15-19(22)17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one?
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one has a molecular weight of 340.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 129376778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).