N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C7H13F3N2O5S — CID 175428894

IUPACN-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCOCNS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O3S.C2HF3O2/c1-10-5-6-11(8,9)7-3-2-4-7;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7)
InChIKeyWDIRQGQSSBAJHB-UHFFFAOYSA-N
MW294.25 g/mol
LogP-0.24
Rot. Bonds4

About N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175428894) has the molecular formula C7H13F3N2O5S and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175428894
Molecular FormulaC7H13F3N2O5S
Molecular Weight294.25 g/mol
Exact Mass294.05
IUPAC NameN-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCOCNS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O3S.C2HF3O2/c1-10-5-6-11(8,9)7-3-2-4-7;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7)
InChIKeyWDIRQGQSSBAJHB-UHFFFAOYSA-N
XLogP-0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175428894) is N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is COCNS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is WDIRQGQSSBAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S.C2HF3O2/c1-10-5-6-11(8,9)7-3-2-4-7;3-2(4,5)1(6)7/h6H,2-5H2,1H3;(H,6,7).
What are the key properties of N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 294.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175428894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).