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

C12H19NO2S — CID 43780146

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CC3CC=CC32)CCS(=O)(=O)C1
InChIInChI=1S/C12H19NO2S/c1-12(5-6-16(14,15)8-12)13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-8H2,1H3
InChIKeyBFNPXUIUKRWRCY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.12
Rot. Bonds2

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

N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43780146) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43780146
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CC3CC=CC32)CCS(=O)(=O)C1
InChIInChI=1S/C12H19NO2S/c1-12(5-6-16(14,15)8-12)13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-8H2,1H3
InChIKeyBFNPXUIUKRWRCY-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-methylsulfonylbutan-2-amine
CID 121516694
N-(cyclohex-3-en-1-ylmethyl)-1,1-dioxothiolan-3-amine
CID 43181943
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
CID 43222613
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dioxothiolan-3-amine
CID 43225119
N-(cyclohex-3-en-1-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679687
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43757090
2-(6-Bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
CID 43777331
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine
CID 43778631
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43780144
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43780159
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 54915324
1-cyclohex-3-en-1-yl-N-[(1,1-dioxothiolan-3-yl)methyl]methanamine
CID 60732597

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 43780146) is N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2CC3CC=CC32)CCS(=O)(=O)C1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is BFNPXUIUKRWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(5-6-16(14,15)8-12)13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-8H2,1H3.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 241.36 g/mol, XLogP of 1.12, 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)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43780146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).