2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol

C14H23N3O3S — CID 43501281

IUPAC2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-2-12-3-4-13(11-14(12)15)21(19,20)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10,15H2,1H3
InChIKeyFSVUJRLHJWUWOR-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.13
Rot. Bonds5

About 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 43501281) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID43501281
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-2-12-3-4-13(11-14(12)15)21(19,20)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10,15H2,1H3
InChIKeyFSVUJRLHJWUWOR-UHFFFAOYSA-N
XLogP0.13
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
5-(1,3-dihydroisoindol-2-ylsulfonyl)-2-ethylaniline
CID 62205889
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzenecarbothioamide
CID 43592174
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
1-(3-amino-4-ethylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213011
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 43501281) is 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol is CCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1N.
What is the InChIKey of 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is FSVUJRLHJWUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-12-3-4-13(11-14(12)15)21(19,20)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10,15H2,1H3.
What are the key properties of 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 313.42 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 43501281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).