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

C13H21N3O3S — CID 43501290

IUPAC2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(N)ccc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H21N3O3S/c1-11-10-12(14)2-3-13(11)20(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9,14H2,1H3
InChIKeyNITRGCCEDMWQCQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.12
Rot. Bonds4

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

2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 43501290) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID43501290
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(N)ccc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H21N3O3S/c1-11-10-12(14)2-3-13(11)20(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9,14H2,1H3
InChIKeyNITRGCCEDMWQCQ-UHFFFAOYSA-N
XLogP-0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.12
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

4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
2-[4-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 114625096
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61126173
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
2-[4-(5-amino-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 107212399
2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 2495559
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84591436
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
2-[4-(2-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309886
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
4-(1,3-dihydroisoindol-2-ylsulfonyl)-3-methylaniline
CID 62204285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 43501290) is 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1cc(N)ccc1S(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is NITRGCCEDMWQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11-10-12(14)2-3-13(11)20(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9,14H2,1H3.
What are the key properties of 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 299.40 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 43501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).