(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate

C5H8N2O7S2 — CID 167046536

IUPAC(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(N)C(=O)OC1COS(=O)O1
InChIInChI=1S/C5H8N2O7S2/c1-2-16(10,11)7(6)5(8)13-4-3-12-15(9)14-4/h2,4H,1,3,6H2
InChIKeyGHCJYFMMAJQOTR-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.28
Rot. Bonds3

About (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate

(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate (PubChem CID 167046536) has the molecular formula C5H8N2O7S2 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate.

Molecular Properties

Compound Name(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate
PubChem CID167046536
Molecular FormulaC5H8N2O7S2
Molecular Weight272.26 g/mol
Exact Mass271.98
IUPAC Name(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(N)C(=O)OC1COS(=O)O1
InChIInChI=1S/C5H8N2O7S2/c1-2-16(10,11)7(6)5(8)13-4-3-12-15(9)14-4/h2,4H,1,3,6H2
InChIKeyGHCJYFMMAJQOTR-UHFFFAOYSA-N
XLogP-1.28
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.28
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'}

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Related Compounds

oxiran-2-yl N-amino-N-hydroxycarbamate
CID 118556065
1,4-dioxan-2-yl N-amino-N-methylcarbamate
CID 175320062
(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate
CID 118491575
4-iodo-1,3,2-dioxathiolane 2-oxide
CID 71446513
4-ethyl-1,3,2-dioxathiolane 2-oxide
CID 14594671
(7-methyl-1,4-dioxepan-2-yl) prop-2-enoate
CID 58183699
(2-oxo-1,3,2-dioxathiolan-4-yl)methyl hydrogen sulfite
CID 175441207
(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
CID 174524002
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
1,3-dioxol-2-yl prop-2-enoate
CID 140978089
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
1-aminoethenyl ethenesulfonate
CID 174374088

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate?
The IUPAC name of (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate (CID 167046536) is (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate.
What is the SMILES notation for (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate?
The canonical SMILES for (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate is C=CS(=O)(=O)N(N)C(=O)OC1COS(=O)O1.
What is the InChIKey of (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate?
The InChIKey is GHCJYFMMAJQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O7S2/c1-2-16(10,11)7(6)5(8)13-4-3-12-15(9)14-4/h2,4H,1,3,6H2.
What are the key properties of (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate?
(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate has a molecular weight of 272.26 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate is sourced from PubChem (CID 167046536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).