(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-2,2-dioxooxathiolan-4-yl) methanesulfonate
CID 155217737
(5-fluoro-2,2-dioxooxathiolan-4-yl) propanoate
CID 90002969
(5-fluoro-2,2-dioxooxathiolan-4-yl) propyl carbonate
CID 90002566
(1,1-dioxothiolan-3-yl) N-amino-N-methylsulfonylcarbamate
CID 167046402
(5-fluoro-2,2-dihydroxyoxathiolan-4-yl) 2-methylpropanoate
CID 90002327
bis(5-methyl-2,2-dioxooxathiolan-4-yl) 2-methylpropanedioate
CID 155384273
(2,2-dioxooxathiolan-4-yl) N-amino-N-prop-2-ynylsulfonylcarbamate
CID 167046279
(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate
CID 167046313
(5-methyl-2,2-dioxooxathiolan-4-yl) propyl carbonate
CID 90003122
(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
CID 167046399
bis(5-methyl-2,2-dioxooxathiolan-4-yl) propane-2,2-disulfonate
CID 155384261
(1,1-dioxothiolan-3-yl) N-amino-N-dimethoxyphosphorylcarbamate
CID 167046451

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).