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

C12H18N2O3S — CID 15855898

IUPAC[(2R)-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-/m1/s1
InChIKeyPGDXCYXIASJLAR-LLVKDONJSA-N
MW270.35 g/mol
LogP-0.05
Rot. Bonds3

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

[(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 15855898) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID15855898
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[(2R)-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-/m1/s1
InChIKeyPGDXCYXIASJLAR-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol (CID 15855898) is [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCN[C@@H](CO)C2)cc1.
What is the InChIKey of [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is PGDXCYXIASJLAR-LLVKDONJSA-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-/m1/s1.
What are the key properties of [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol?
[(2R)-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 [(2R)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 15855898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).