N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

C8H13N5O4S — CID 112531415

IUPACN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C8H13N5O4S/c1-18(16,17)10-7-4-13(11-9-7)5-8(15)12-2-6(14)3-12/h4,6,10,14H,2-3,5H2,1H3
InChIKeyOOZVYPJGHDSIGE-UHFFFAOYSA-N
MW275.29 g/mol
LogP-2.15
Rot. Bonds4

About N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112531415) has the molecular formula C8H13N5O4S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112531415
Molecular FormulaC8H13N5O4S
Molecular Weight275.29 g/mol
Exact Mass275.07
IUPAC NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C8H13N5O4S/c1-18(16,17)10-7-4-13(11-9-7)5-8(15)12-2-6(14)3-12/h4,6,10,14H,2-3,5H2,1H3
InChIKeyOOZVYPJGHDSIGE-UHFFFAOYSA-N
XLogP-2.15
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112531415) is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1.
What is the InChIKey of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is OOZVYPJGHDSIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4S/c1-18(16,17)10-7-4-13(11-9-7)5-8(15)12-2-6(14)3-12/h4,6,10,14H,2-3,5H2,1H3.
What are the key properties of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of -2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).