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

C15H24N2O2S — CID 143549405

IUPAC[1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-4-6-14(7-5-12)20(19)17-9-8-16-10-13(17)11-18/h4-7,13,16,18H,8-11H2,1-3H3
InChIKeyFLWBWIOOONGXSA-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.27
Rot. Bonds3

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

[1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol (PubChem CID 143549405) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol
PubChem CID143549405
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-4-6-14(7-5-12)20(19)17-9-8-16-10-13(17)11-18/h4-7,13,16,18H,8-11H2,1-3H3
InChIKeyFLWBWIOOONGXSA-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Tert-butylphenyl)sulfonyl]piperazine
CID 2929804
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 858110
N-[2-(2-hydroxyethylamino)ethyl]-4-methyl-benzenesulfonamide
CID 422660
2-(4-((4-(Tert-butyl)phenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644906
N-[(2S)-1-[[(2S)-1-hydroxypropan-2-yl]-methylsulfonylamino]propan-2-yl]-4-methylbenzenesulfonamide
CID 102416930
N-((S)-1-((S)-1-Hydroxy-3-methylbutan-2-ylamino)propan-2-yl)-4-methyl-benzenesulfonamide
CID 139251323
N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
CID 167801726
N-[2-(2-hydroxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 24192995
N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 11602190
[(2S)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanol
CID 11821687
(S)-N-[2-[(3-Hydroxypropyl)amino]-1-methylethyl]-4-methyl-benzenesulfonamide
CID 20638410
N-[1-(3-hydroxypropylamino)propan-2-yl]-4-methylbenzenesulfonamide
CID 22121901

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol?
The IUPAC name of [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol (CID 143549405) is [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol is CC(C)(C)c1ccc(S(=O)N2CCNCC2CO)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol?
The InChIKey is FLWBWIOOONGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)12-4-6-14(7-5-12)20(19)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)sulfinylpiperazin-2-yl]methanol?
[1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol has a molecular weight of 296.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfinylpiperazin-2-yl]methanol is sourced from PubChem (CID 143549405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).