(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol

C12H17ClN2O3S — CID 126670138

IUPAC(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol
SMILESCS(=O)(=O)N1CC(O)N[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-11(14-12(16)8-15)6-9-2-4-10(13)5-3-9/h2-5,11-12,14,16H,6-8H2,1H3/t11-,12?/m0/s1
InChIKeyIJZKCFCBUGRIDU-PXYINDEMSA-N
MW304.80 g/mol
LogP0.43
Rot. Bonds3

About (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol

(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol (PubChem CID 126670138) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol.

Molecular Properties

Compound Name(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol
PubChem CID126670138
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol
SMILESCS(=O)(=O)N1CC(O)N[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-11(14-12(16)8-15)6-9-2-4-10(13)5-3-9/h2-5,11-12,14,16H,6-8H2,1H3/t11-,12?/m0/s1
InChIKeyIJZKCFCBUGRIDU-PXYINDEMSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol?
The IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol (CID 126670138) is (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol.
What is the SMILES notation for (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol?
The canonical SMILES for (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol is CS(=O)(=O)N1CC(O)N[C@@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol?
The InChIKey is IJZKCFCBUGRIDU-PXYINDEMSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-11(14-12(16)8-15)6-9-2-4-10(13)5-3-9/h2-5,11-12,14,16H,6-8H2,1H3/t11-,12?/m0/s1.
What are the key properties of (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol?
(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol has a molecular weight of 304.80 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol is sourced from PubChem (CID 126670138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).