1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone

C16H20N4O3S — CID 75473418

IUPAC1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H20N4O3S/c1-12(2)24(22,23)11-16(21)19-8-14(9-19)20-10-15(17-18-20)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyDYSNYFZAPVAPCD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.15
Rot. Bonds5

About 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone

1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone (PubChem CID 75473418) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
PubChem CID75473418
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H20N4O3S/c1-12(2)24(22,23)11-16(21)19-8-14(9-19)20-10-15(17-18-20)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyDYSNYFZAPVAPCD-UHFFFAOYSA-N
XLogP1.15
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone 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

N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
CID 146131664
2-(benzotriazol-1-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 91624960
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342630
2-[(2S)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342629
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 75473448
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
CID 86771410
3-(benzenesulfonyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121149932
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 121149931

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone (CID 75473418) is 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone is CC(C)S(=O)(=O)CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone?
The InChIKey is DYSNYFZAPVAPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12(2)24(22,23)11-16(21)19-8-14(9-19)20-10-15(17-18-20)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3.
What are the key properties of 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone?
1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone has a molecular weight of 348.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 75473418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).