2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2O3S — CID 81196310

IUPAC2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS(=O)(=O)CC1CNC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)4-17(15,16)3-6-1-12-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyIXLIQALKFADERP-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.70
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81196310) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81196310
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS(=O)(=O)CC1CNC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)4-17(15,16)3-6-1-12-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyIXLIQALKFADERP-UHFFFAOYSA-N
XLogP-0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81196310) is 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CS(=O)(=O)CC1CNC1)NCC(F)(F)F.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IXLIQALKFADERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)4-17(15,16)3-6-1-12-2-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81196310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).