(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate

C5H9FN2O7S2 — CID 167046425

IUPAC(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate
SMILESCS(=O)(=O)N(N)C(=O)OC1CS(=O)(=O)OC1F
InChIInChI=1S/C5H9FN2O7S2/c1-16(10,11)8(7)5(9)14-3-2-17(12,13)15-4(3)6/h3-4H,2,7H2,1H3
InChIKeyYTZCLIYMCIBVLQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP-1.72
Rot. Bonds2

About (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate

(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate (PubChem CID 167046425) has the molecular formula C5H9FN2O7S2 and a molecular weight of 292.27 g/mol. Its IUPAC name is (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate.

Molecular Properties

Compound Name(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate
PubChem CID167046425
Molecular FormulaC5H9FN2O7S2
Molecular Weight292.27 g/mol
Exact Mass291.98
IUPAC Name(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate
SMILESCS(=O)(=O)N(N)C(=O)OC1CS(=O)(=O)OC1F
InChIInChI=1S/C5H9FN2O7S2/c1-16(10,11)8(7)5(9)14-3-2-17(12,13)15-4(3)6/h3-4H,2,7H2,1H3
InChIKeyYTZCLIYMCIBVLQ-UHFFFAOYSA-N
XLogP-1.72
TPSA133.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate?
The IUPAC name of (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate (CID 167046425) is (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate.
What is the SMILES notation for (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate?
The canonical SMILES for (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate is CS(=O)(=O)N(N)C(=O)OC1CS(=O)(=O)OC1F.
What is the InChIKey of (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate?
The InChIKey is YTZCLIYMCIBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O7S2/c1-16(10,11)8(7)5(9)14-3-2-17(12,13)15-4(3)6/h3-4H,2,7H2,1H3.
What are the key properties of (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate?
(5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate has a molecular weight of 292.27 g/mol, XLogP of -1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,2-dioxooxathiolan-4-yl) N-amino-N-methylsulfonylcarbamate is sourced from PubChem (CID 167046425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).