N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C8H14F2N2O3S — CID 122272303

IUPACN-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(C(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C8H14F2N2O3S/c1-11(16(2,14)15)5-7(13)12-3-6(4-12)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyWMSQZVFTAOCBQU-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.40
Rot. Bonds4

About N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 122272303) has the molecular formula C8H14F2N2O3S and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID122272303
Molecular FormulaC8H14F2N2O3S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC NameN-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(C(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C8H14F2N2O3S/c1-11(16(2,14)15)5-7(13)12-3-6(4-12)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyWMSQZVFTAOCBQU-UHFFFAOYSA-N
XLogP-0.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 122272303) is N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CC(C(F)F)C1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is WMSQZVFTAOCBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3S/c1-11(16(2,14)15)5-7(13)12-3-6(4-12)8(9)10/h6,8H,3-5H2,1-2H3.
What are the key properties of N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 256.27 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122272303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).