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

C10H15NO2S — CID 130964396

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine
SMILESO=S1(=O)CC(NC2CC3CC=CC32)C1
InChIInChI=1S/C10H15NO2S/c12-14(13)5-8(6-14)11-10-4-7-2-1-3-9(7)10/h1,3,7-11H,2,4-6H2
InChIKeyDRWXKUMKUMAIBW-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.34
Rot. Bonds2

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

N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine (PubChem CID 130964396) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine
PubChem CID130964396
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine
SMILESO=S1(=O)CC(NC2CC3CC=CC32)C1
InChIInChI=1S/C10H15NO2S/c12-14(13)5-8(6-14)11-10-4-7-2-1-3-9(7)10/h1,3,7-11H,2,4-6H2
InChIKeyDRWXKUMKUMAIBW-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.34
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-dioxothietan-3-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine (CID 130964396) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine is O=S1(=O)CC(NC2CC3CC=CC32)C1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine?
The InChIKey is DRWXKUMKUMAIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-14(13)5-8(6-14)11-10-4-7-2-1-3-9(7)10/h1,3,7-11H,2,4-6H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothietan-3-amine has a molecular weight of 213.30 g/mol, XLogP of 0.34, 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-dioxothietan-3-amine is sourced from PubChem (CID 130964396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).