[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol

C14H22N2O3S — CID 143457286

IUPAC[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(18,19)16-8-7-15-9-13(16)10-17/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyCDKSHPGXRHFKRY-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.76
Rot. Bonds4

About [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol

[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 143457286) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID143457286
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(18,19)16-8-7-15-9-13(16)10-17/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyCDKSHPGXRHFKRY-UHFFFAOYSA-N
XLogP0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
1-(4-(Propan-2-yl)benzenesulfonyl)piperazine
CID 2398130
4-cyclohexyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 7731314
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 858110
1-[(4-Sec-butylphenyl)sulfonyl]piperazine hydrochloride
CID 42917371
N-[2-(2-hydroxyethylamino)ethyl]-4-methyl-benzenesulfonamide
CID 422660
2-(4-((4-Cyclohexylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644932
3-fluoro-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 45822451
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 86794930
(2S)-2-methyl-1-(2-propan-2-ylphenyl)sulfonylpiperazine
CID 132361980
N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 22567701

Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol (CID 143457286) is [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol is CC(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1.
What is the InChIKey of [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is CDKSHPGXRHFKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(18,19)16-8-7-15-9-13(16)10-17/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol?
[1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 143457286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).