2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol

C16H26N2O3S — CID 16644906

IUPAC2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(20,21)18-10-8-17(9-11-18)12-13-19/h4-7,19H,8-13H2,1-3H3
InChIKeyNSLWXIPEMNJWEE-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.28
Rot. Bonds4

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

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 16644906) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID16644906
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(20,21)18-10-8-17(9-11-18)12-13-19/h4-7,19H,8-13H2,1-3H3
InChIKeyNSLWXIPEMNJWEE-UHFFFAOYSA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 16644906) is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is NSLWXIPEMNJWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(20,21)18-10-8-17(9-11-18)12-13-19/h4-7,19H,8-13H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 326.46 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 16644906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).