(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate

C7H12N2O6S2 — CID 167046399

IUPAC(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(N)C(=O)OC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12N2O6S2/c1-2-17(13,14)9(8)7(10)15-6-3-4-16(11,12)5-6/h2,6H,1,3-5,8H2
InChIKeyGNZBGDKPNAMUCY-UHFFFAOYSA-N
MW284.31 g/mol
LogP-1.04
Rot. Bonds3

About (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate

(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate (PubChem CID 167046399) has the molecular formula C7H12N2O6S2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
PubChem CID167046399
Molecular FormulaC7H12N2O6S2
Molecular Weight284.31 g/mol
Exact Mass284.01
IUPAC Name(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(N)C(=O)OC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12N2O6S2/c1-2-17(13,14)9(8)7(10)15-6-3-4-16(11,12)5-6/h2,6H,1,3-5,8H2
InChIKeyGNZBGDKPNAMUCY-UHFFFAOYSA-N
XLogP-1.04
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(1,1-dioxothiolan-3-yl) N-amino-N-methylsulfonylcarbamate
CID 167046402
(1,1-dioxothiolan-3-yl) prop-2-enoate
CID 54012913
(1,1-dioxothiolan-3-yl) N-amino-N-dimethoxyphosphorylcarbamate
CID 167046451
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(1,1-dioxothiolan-3-yl) ethenesulfonate
CID 155217659
(2-oxo-1,3,2-dioxathiolan-4-yl) N-amino-N-ethenylsulfonylcarbamate
CID 167046536
(1,1-dioxothiolan-3-yl) N-amino-N-[bis(2,2,2-trifluoroethoxy)phosphoryl]carbamate
CID 167046449
3-but-2-en-2-yloxythiolane 1,1-dioxide
CID 70631356
[(3R)-1,1-dioxothiolan-3-yl] sulfate
CID 7058872
(1,1-dioxothiolan-3-yl) formate
CID 90943234
[(3S)-1,1-dioxothiolan-3-yl] 4-methylbenzoate
CID 40530092
3-prop-2-enylperoxythiolane 1,1-dioxide
CID 135235402

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate?
The IUPAC name of (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate (CID 167046399) is (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate.
What is the SMILES notation for (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate?
The canonical SMILES for (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate is C=CS(=O)(=O)N(N)C(=O)OC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate?
The InChIKey is GNZBGDKPNAMUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6S2/c1-2-17(13,14)9(8)7(10)15-6-3-4-16(11,12)5-6/h2,6H,1,3-5,8H2.
What are the key properties of (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate?
(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate has a molecular weight of 284.31 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate is sourced from PubChem (CID 167046399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).