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

C15H24N2O3S — CID 57435415

IUPAC[1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)12-4-6-14(7-5-12)21(19,20)17-9-8-16-10-13(17)11-18/h4-7,13,16,18H,8-11H2,1-3H3
InChIKeyJJWRZOWJGUETCM-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.94
Rot. Bonds3

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

[1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 57435415) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID57435415
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)12-4-6-14(7-5-12)21(19,20)17-9-8-16-10-13(17)11-18/h4-7,13,16,18H,8-11H2,1-3H3
InChIKeyJJWRZOWJGUETCM-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol (CID 57435415) is [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol is CC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is JJWRZOWJGUETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)12-4-6-14(7-5-12)21(19,20)17-9-8-16-10-13(17)11-18/h4-7,13,16,18H,8-11H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
[1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol has a molecular weight of 312.44 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 57435415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).