[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol

C12H18N2O3S — CID 11821687

IUPAC[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCN[C@H](CO)C2)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-2-4-12(5-3-10)18(16,17)14-7-6-13-11(8-14)9-15/h2-5,11,13,15H,6-9H2,1H3/t11-/m0/s1
InChIKeyPGDXCYXIASJLAR-NSHDSACASA-N
MW270.35 g/mol
LogP-0.05
Rot. Bonds3

About [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol

[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 11821687) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID11821687
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCN[C@H](CO)C2)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-2-4-12(5-3-10)18(16,17)14-7-6-13-11(8-14)9-15/h2-5,11,13,15H,6-9H2,1H3/t11-/m0/s1
InChIKeyPGDXCYXIASJLAR-NSHDSACASA-N
XLogP-0.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
N-(1,1-Dimethyl-2-piperazin-1-yl-ethyl)-4-methyl-benzenesulfonamide
CID 786538
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
1-[(4-Propylphenyl)sulfonyl]piperazine
CID 2492743
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
N-[1-(hydroxymethyl)propyl]-N-[2-[1-(hydroxymethyl)propyl-(p-tolylsulfonyl)amino]ethyl]-4-methyl-benzenesulfonamide
CID 469960
1-(4-((4-(Trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)propan-2-ol
CID 71783551

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol (CID 11821687) is [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCN[C@H](CO)C2)cc1.
What is the InChIKey of [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is PGDXCYXIASJLAR-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-2-4-12(5-3-10)18(16,17)14-7-6-13-11(8-14)9-15/h2-5,11,13,15H,6-9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol has a molecular weight of 270.35 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 11821687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).