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

C8H13N5O4S — CID 112531411

IUPACN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C8H13N5O4S/c1-18(16,17)11-7-2-9-13(10-7)5-8(15)12-3-6(14)4-12/h2,6,14H,3-5H2,1H3,(H,10,11)
InChIKeyFKZCMLQVTWYAGE-UHFFFAOYSA-N
MW275.29 g/mol
LogP-2.15
Rot. Bonds4

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

N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112531411) has the molecular formula C8H13N5O4S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112531411
Molecular FormulaC8H13N5O4S
Molecular Weight275.29 g/mol
Exact Mass275.07
IUPAC NameN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C8H13N5O4S/c1-18(16,17)11-7-2-9-13(10-7)5-8(15)12-3-6(14)4-12/h2,6,14H,3-5H2,1H3,(H,10,11)
InChIKeyFKZCMLQVTWYAGE-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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Related Compounds

N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112530719
N-[2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112530907
N-[2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531214
2-(4-Aminotriazol-2-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 112531390
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531415
N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-2-yl]-N-methylacetamide
CID 112531451
N-(2-hydroxyethyl)-2-[4-(methanesulfonamido)triazol-1-yl]-N-methylacetamide
CID 112531455

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112531411) is N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1.
What is the InChIKey of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is FKZCMLQVTWYAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4S/c1-18(16,17)11-7-2-9-13(10-7)5-8(15)12-3-6(14)4-12/h2,6,14H,3-5H2,1H3,(H,10,11).
What are the key properties of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[2-[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-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112531411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).