1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol

C15H24N2O3S — CID 63615234

IUPAC1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol
SMILESCCC1CN(S(=O)(=O)c2ccc(C(C)O)cc2)CCN1C
InChIInChI=1S/C15H24N2O3S/c1-4-14-11-17(10-9-16(14)3)21(19,20)15-7-5-13(6-8-15)12(2)18/h5-8,12,14,18H,4,9-11H2,1-3H3
InChIKeyGPAWQJYOFXUBGS-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.45
Rot. Bonds4

About 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol

1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol (PubChem CID 63615234) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol
PubChem CID63615234
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol
SMILESCCC1CN(S(=O)(=O)c2ccc(C(C)O)cc2)CCN1C
InChIInChI=1S/C15H24N2O3S/c1-4-14-11-17(10-9-16(14)3)21(19,20)15-7-5-13(6-8-15)12(2)18/h5-8,12,14,18H,4,9-11H2,1-3H3
InChIKeyGPAWQJYOFXUBGS-UHFFFAOYSA-N
XLogP1.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 63621930
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
1-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]ethanol
CID 62967994
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 63621762
4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
CID 63614932
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol?
The IUPAC name of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol (CID 63615234) is 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol is CCC1CN(S(=O)(=O)c2ccc(C(C)O)cc2)CCN1C.
What is the InChIKey of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol?
The InChIKey is GPAWQJYOFXUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-14-11-17(10-9-16(14)3)21(19,20)15-7-5-13(6-8-15)12(2)18/h5-8,12,14,18H,4,9-11H2,1-3H3.
What are the key properties of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol?
1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 63615234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).