2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

C6H12N4O3S — CID 106281568

IUPAC2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCO)c1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c1-5(6-7-4-8-9-6)10-14(12,13)3-2-11/h4-5,10-11H,2-3H2,1H3,(H,7,8,9)
InChIKeyQMGGYZRSJXQYAW-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.22
Rot. Bonds5

About 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 106281568) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
PubChem CID106281568
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCO)c1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c1-5(6-7-4-8-9-6)10-14(12,13)3-2-11/h4-5,10-11H,2-3H2,1H3,(H,7,8,9)
InChIKeyQMGGYZRSJXQYAW-UHFFFAOYSA-N
XLogP-1.22
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 106283726
3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
4-(2-hydroxyethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283922
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934
propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
CID 114167984
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283893

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (CID 106281568) is 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCO)c1ncn[nH]1.
What is the InChIKey of 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is QMGGYZRSJXQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-5(6-7-4-8-9-6)10-14(12,13)3-2-11/h4-5,10-11H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 220.25 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106281568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).