1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C8H13F3N2O3S — CID 142751673

IUPAC1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCCS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-3-6(4-13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyJRXVGRREZIFISN-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.05
Rot. Bonds4

About 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 142751673) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID142751673
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCCS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-3-6(4-13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyJRXVGRREZIFISN-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785531
1-(cyclopropylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785614
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
CID 164729663
2-methyl-N-(3,3,3-trifluoro-2-methylsulfonylpropyl)propanamide
CID 164739924
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889
4,4-Dimethyl-1,1-dioxo-2-[2-(2,2,2-trifluoroethylamino)ethyl]thiazetidin-3-one
CID 79886261
2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81196310
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
3,3,3-trifluoro-N-(3-sulfamoylpropyl)-2-(trifluoromethyl)propanamide
CID 113801317
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113807413
2-[(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 113807887

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 142751673) is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is CCS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is JRXVGRREZIFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-3-6(4-13)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 274.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 142751673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).