N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

C8H15F3N2O4S — CID 175950899

IUPACN-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCNS(=O)(=O)C[C@H]1CN[C@@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-5-6(3-8-5)4-11(9,10)7-2;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7)/t5-,6-;/m1./s1
InChIKeyQDURZZQGLQRIAJ-KGZKBUQUSA-N
MW292.28 g/mol
LogP-0.22
Rot. Bonds3

About N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175950899) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175950899
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC NameN-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCNS(=O)(=O)C[C@H]1CN[C@@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-5-6(3-8-5)4-11(9,10)7-2;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7)/t5-,6-;/m1./s1
InChIKeyQDURZZQGLQRIAJ-KGZKBUQUSA-N
XLogP-0.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)ethane-1-sulfonamide; trifluoroacetic acid
CID 138990997
(Azetidin-2-yl)methanesulfonamide; trifluoroacetic acid
CID 165945994
2-(Methanesulfonylmethyl)-3,3-dimethylazetidine, trifluoroacetic acid
CID 177800763
1-Propan-2-ylsulfonylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 21090393
N-methyl-N-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 169780674
N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 170189656
rel-(2R,3S)-2-Methyl-3-((methylsulfonyl)methyl)azetidine 2,2,2-trifluoroacetate
CID 170903938
N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide;2,2,2-trifluoroacetic acid
CID 174204094
N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 174204651
3-(Azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175727654
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727663
[2-(Azetidin-3-yl)ethylamino]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727744

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 175950899) is N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is CNS(=O)(=O)C[C@H]1CN[C@@H]1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is QDURZZQGLQRIAJ-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H14N2O2S.C2HF3O2/c1-5-6(3-8-5)4-11(9,10)7-2;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7)/t5-,6-;/m1./s1.
What are the key properties of N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 292.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175950899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).