2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide

C9H14N2O3S — CID 79588957

IUPAC2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCO)c1cccnc1
InChIInChI=1S/C9H14N2O3S/c1-8(9-3-2-4-10-7-9)11-15(13,14)6-5-12/h2-4,7-8,11-12H,5-6H2,1H3
InChIKeyWPHAUSMTPJINQA-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.05
Rot. Bonds5

About 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide

2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide (PubChem CID 79588957) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
PubChem CID79588957
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCO)c1cccnc1
InChIInChI=1S/C9H14N2O3S/c1-8(9-3-2-4-10-7-9)11-15(13,14)6-5-12/h2-4,7-8,11-12H,5-6H2,1H3
InChIKeyWPHAUSMTPJINQA-UHFFFAOYSA-N
XLogP0.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
CID 55989545
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide (CID 79588957) is 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide is CC(NS(=O)(=O)CCO)c1cccnc1.
What is the InChIKey of 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide?
The InChIKey is WPHAUSMTPJINQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-8(9-3-2-4-10-7-9)11-15(13,14)6-5-12/h2-4,7-8,11-12H,5-6H2,1H3.
What are the key properties of 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide?
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 79588957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).