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

C8H15F3N2O4S — CID 174204651

IUPACN-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-5(2)11(9,10)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7)
InChIKeyZHQFNIWRLJPAJF-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.08
Rot. Bonds3

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

N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 174204651) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID174204651
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC NameN-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-5(2)11(9,10)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7)
InChIKeyZHQFNIWRLJPAJF-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid (CID 174204651) is N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid is CC(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZHQFNIWRLJPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.C2HF3O2/c1-5(2)11(9,10)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-8H,3-4H2,1-2H3;(H,6,7).
What are the key properties of N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 292.28 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)propane-2-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174204651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).