3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid

C8H15F3N2O4S — CID 175727654

IUPAC3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CCCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c7-11(9,10)3-1-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2,(H2,7,9,10);(H,6,7)
InChIKeyXBQBXXBTRWBKJO-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.09
Rot. Bonds4

About 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid

3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175727654) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175727654
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Name3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CCCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c7-11(9,10)3-1-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2,(H2,7,9,10);(H,6,7)
InChIKeyXBQBXXBTRWBKJO-UHFFFAOYSA-N
XLogP-0.09
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Azaspiro[3.3]heptane-6-sulfonamide, trifluoroacetic acid
CID 137500695
(2-Azaspiro[3.3]heptan-6-ylsulfonylamino) 2,2,2-trifluoroacetate
CID 137500696
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727663
2-Azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727730
[2-(Azetidin-3-yl)ethylamino]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727744
3-[3-(Sulfamoylamino)propyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947604
2-(Azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175947656
[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175947905
N-ethyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950885
N-methyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950899
N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950903
Azetidin-3-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950905

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175727654) is 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)CCCC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is XBQBXXBTRWBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.C2HF3O2/c7-11(9,10)3-1-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2,(H2,7,9,10);(H,6,7).
What are the key properties of 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 292.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).