(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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Related Compounds

N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]methanesulfonamide
CID 53589944
N-[2-(4-chlorophenyl)ethyl]-2-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)acetamide
CID 70788284
N-[2-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 71988834
N-(2-hydroxyethyl)-6-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]hexanesulfonamide
CID 22111625
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-methylpiperazine
CID 22721875
1-[2-(4-Chlorophenyl)ethenylsulfonyl]-3-methylpiperazine
CID 54275830
12-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2-hydroxyethyl)dodecane-1-sulfonamide
CID 69988009
N-(2-hydroxyethyl)-5-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]pentanesulfonamide
CID 69988227
[1-[3-(4-Chlorophenyl)propyl]piperazin-2-yl]methanol
CID 118165241
(3S)-3-[(4-chlorophenyl)methyl]-1-methylsulfonylpiperazine
CID 126642094
3-[(4-Chlorophenyl)methyl]-1-methylsulfonylpiperazine
CID 126642096
[(2R,5S)-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 126642108

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).