2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol

C18H28N2O3S — CID 16644932

IUPAC2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C18H28N2O3S/c21-15-14-19-10-12-20(13-11-19)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16,21H,1-5,10-15H2
InChIKeyYJRVWTFRHPUKJB-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.03
Rot. Bonds5

About 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 16644932) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID16644932
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C18H28N2O3S/c21-15-14-19-10-12-20(13-11-19)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16,21H,1-5,10-15H2
InChIKeyYJRVWTFRHPUKJB-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 16644932) is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is YJRVWTFRHPUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c21-15-14-19-10-12-20(13-11-19)24(22,23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16,21H,1-5,10-15H2.
What are the key properties of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 352.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 16644932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).