N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide

C8H13F3N2O3S — CID 164729652

IUPACN-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCN(CC1CN(C(=O)C(F)(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C8H13F3N2O3S/c1-12(17(2,15)16)3-6-4-13(5-6)7(14)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyLCRBVSOSBGARNY-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.10
Rot. Bonds3

About N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide

N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide (PubChem CID 164729652) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
PubChem CID164729652
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCN(CC1CN(C(=O)C(F)(F)F)C1)S(C)(=O)=O
InChIInChI=1S/C8H13F3N2O3S/c1-12(17(2,15)16)3-6-4-13(5-6)7(14)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyLCRBVSOSBGARNY-UHFFFAOYSA-N
XLogP-0.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
CID 164729663
N-{2-[3-(difluoromethyl)azetidin-1-yl]-2-oxoethyl}-N-methylmethanesulfonamide
CID 122272303
N,N-diethyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90512999
1-(methylsulfonyl)-N,N-dipropylazetidine-3-carboxamide
CID 90513000
N,N-diisobutyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513003

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide (CID 164729652) is N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide is CN(CC1CN(C(=O)C(F)(F)F)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LCRBVSOSBGARNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-12(17(2,15)16)3-6-4-13(5-6)7(14)8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide has a molecular weight of 274.26 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 164729652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).