azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid

C6H11F3N2O4S — CID 175950905

IUPACazetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2S.C2HF3O2/c5-9(7,8)3-4-1-6-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H2,5,7,8);(H,6,7)
InChIKeyQJZQRMAJKHLQSL-UHFFFAOYSA-N
MW264.22 g/mol
LogP-0.87
Rot. Bonds2

About azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid

azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175950905) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.22 g/mol. Its IUPAC name is azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175950905
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Nameazetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2S.C2HF3O2/c5-9(7,8)3-4-1-6-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H2,5,7,8);(H,6,7)
InChIKeyQJZQRMAJKHLQSL-UHFFFAOYSA-N
XLogP-0.87
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.87
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
3-Methylsulfonylazetidine;2,2,2-trifluoroacetic acid
CID 68944996
2-(Azetidin-3-ylsulfonyl)acetic acid;2,2,2-trifluoroacetic acid
CID 138689805
2-(Azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
CID 138689974
3-((Methylsulfonyl)methyl)azetidine tfa
CID 154814193
3-((Isopropylsulfonyl)methyl)azetidine tfa
CID 156538131
3-((Ethylsulfonyl)methyl)azetidine tfa
CID 156538329
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

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid (CID 175950905) is azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)CC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is QJZQRMAJKHLQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.C2HF3O2/c5-9(7,8)3-4-1-6-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H2,5,7,8);(H,6,7).
What are the key properties of azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 264.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175950905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).