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

C15H24N2O3S — CID 126724615

IUPAC[4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(CO)C1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)13-6-4-5-7-14(13)21(19,20)17-9-8-16-12(10-17)11-18/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyICHXKCPVUYIOLV-UHFFFAOYSA-N
MW312.43 g/mol
LogP0.94
Rot. Bonds3

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

[4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 126724615) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID126724615
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name[4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(CO)C1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)13-6-4-5-7-14(13)21(19,20)17-9-8-16-12(10-17)11-18/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyICHXKCPVUYIOLV-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 ≤ 500312.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]benzenesulfonamide
CID 97574863
(2S)-2-methyl-1-(2-propan-2-ylphenyl)sulfonylpiperazine
CID 132361980
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
4-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548920
5-fluoro-2-methyl-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549010
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925
5-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593931
2-[4-(4-Fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
CID 112409615
[4-(5-Fluoro-2-methylphenyl)sulfonylmorpholin-3-yl]methanamine
CID 116447510
[4-(4-Fluoro-2-methylphenyl)sulfonylmorpholin-3-yl]methanamine
CID 116447558

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol (CID 126724615) is [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol is CC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(CO)C1.
What is the InChIKey of [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is ICHXKCPVUYIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)13-6-4-5-7-14(13)21(19,20)17-9-8-16-12(10-17)11-18/h4-7,12,16,18H,8-11H2,1-3H3.
What are the key properties of [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol?
[4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol has a molecular weight of 312.43 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 [4-(2-tert-butylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 126724615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).