N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine

C11H17NO2S — CID 43222613

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CC=CC32)C1
InChIInChI=1S/C11H17NO2S/c13-15(14)5-4-9(7-15)12-11-6-8-2-1-3-10(8)11/h1,3,8-12H,2,4-7H2
InChIKeyFGXCLYGGFATAGT-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.73
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine (PubChem CID 43222613) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
PubChem CID43222613
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CC3CC=CC32)C1
InChIInChI=1S/C11H17NO2S/c13-15(14)5-4-9(7-15)12-11-6-8-2-1-3-10(8)11/h1,3,8-12H,2,4-7H2
InChIKeyFGXCLYGGFATAGT-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine (CID 43222613) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NC2CC3CC=CC32)C1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine?
The InChIKey is FGXCLYGGFATAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-15(14)5-4-9(7-15)12-11-6-8-2-1-3-10(8)11/h1,3,8-12H,2,4-7H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine has a molecular weight of 227.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43222613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).