4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide

C13H21N3O3S — CID 107226922

IUPAC4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N1CCCC(CCO)C1
InChIInChI=1S/C13H21N3O3S/c14-12-4-3-11(20(15,18)19)8-13(12)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,14H2,(H2,15,18,19)
InChIKeyCTIHHMNHHVCDLC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.51
Rot. Bonds4

About 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide

4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 107226922) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID107226922
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N1CCCC(CCO)C1
InChIInChI=1S/C13H21N3O3S/c14-12-4-3-11(20(15,18)19)8-13(12)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,14H2,(H2,15,18,19)
InChIKeyCTIHHMNHHVCDLC-UHFFFAOYSA-N
XLogP0.51
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
CID 107227048
4-amino-3-(3-hydroxypyrrolidin-1-yl)benzenesulfonamide
CID 82898726
4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide
CID 82899584
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-(2-iodo-4-nitrophenyl)piperidin-3-yl]ethanol
CID 66095148
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
CID 107227039
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115964836
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 112624080
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide (CID 107226922) is 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1N1CCCC(CCO)C1.
What is the InChIKey of 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is CTIHHMNHHVCDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-12-4-3-11(20(15,18)19)8-13(12)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9,14H2,(H2,15,18,19).
What are the key properties of 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 107226922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).