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

C8H13F3N2O4S — CID 138987844

IUPACN-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NC1CNC1)C1CC1
InChIInChI=1S/C6H12N2O2S.C2HF3O2/c9-11(10,6-1-2-6)8-5-3-7-4-5;3-2(4,5)1(6)7/h5-8H,1-4H2;(H,6,7)
InChIKeyLPJBCMWGIVNQCE-UHFFFAOYSA-N
MW290.26 g/mol
LogP-0.33
Rot. Bonds3

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

N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 138987844) has the molecular formula C8H13F3N2O4S and a molecular weight of 290.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID138987844
Molecular FormulaC8H13F3N2O4S
Molecular Weight290.26 g/mol
Exact Mass290.05
IUPAC NameN-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NC1CNC1)C1CC1
InChIInChI=1S/C6H12N2O2S.C2HF3O2/c9-11(10,6-1-2-6)8-5-3-7-4-5;3-2(4,5)1(6)7/h5-8H,1-4H2;(H,6,7)
InChIKeyLPJBCMWGIVNQCE-UHFFFAOYSA-N
XLogP-0.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 5-0.33
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)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 138987844) is N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NC1CNC1)C1CC1.
What is the InChIKey of N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is LPJBCMWGIVNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S.C2HF3O2/c9-11(10,6-1-2-6)8-5-3-7-4-5;3-2(4,5)1(6)7/h5-8H,1-4H2;(H,6,7).
What are the key properties of N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 290.26 g/mol, XLogP of -0.33, 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)cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138987844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).