2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol

C12H19N3O3S — CID 107228635

IUPAC2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
SMILESNc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccn1
InChIInChI=1S/C12H19N3O3S/c13-12-8-11(3-5-14-12)19(17,18)15-6-1-2-10(9-15)4-7-16/h3,5,8,10,16H,1-2,4,6-7,9H2,(H2,13,14)
InChIKeyQSCIRQWPJAMSNQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.45
Rot. Bonds4

About 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol

2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol (PubChem CID 107228635) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
PubChem CID107228635
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
SMILESNc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccn1
InChIInChI=1S/C12H19N3O3S/c13-12-8-11(3-5-14-12)19(17,18)15-6-1-2-10(9-15)4-7-16/h3,5,8,10,16H,1-2,4,6-7,9H2,(H2,13,14)
InChIKeyQSCIRQWPJAMSNQ-UHFFFAOYSA-N
XLogP0.45
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperidin-3-yl]ethanol
CID 107227904
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol (CID 107228635) is 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol is Nc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccn1.
What is the InChIKey of 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol?
The InChIKey is QSCIRQWPJAMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-12-8-11(3-5-14-12)19(17,18)15-6-1-2-10(9-15)4-7-16/h3,5,8,10,16H,1-2,4,6-7,9H2,(H2,13,14).
What are the key properties of 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol?
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol has a molecular weight of 285.37 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).