N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine

C12H19NO2S — CID 43778631

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C12H19NO2S/c14-16(15)6-4-10(5-7-16)13-12-8-9-2-1-3-11(9)12/h1,3,9-13H,2,4-8H2
InChIKeyRDUJALYTBBSMOO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.12
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine (PubChem CID 43778631) 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)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine
PubChem CID43778631
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C12H19NO2S/c14-16(15)6-4-10(5-7-16)13-12-8-9-2-1-3-11(9)12/h1,3,9-13H,2,4-8H2
InChIKeyRDUJALYTBBSMOO-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'}

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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)-1,1-dioxothian-4-amine
CID 43614826
N-(cyclohex-3-en-1-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679687
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771742
2-(6-Bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
CID 43777331
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dioxothian-4-amine
CID 43778629
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1-dioxothian-4-amine
CID 43778644
N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43780146
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
CID 43791488

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine (CID 43778631) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine is O=S1(=O)CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine?
The InChIKey is RDUJALYTBBSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c14-16(15)6-4-10(5-7-16)13-12-8-9-2-1-3-11(9)12/h1,3,9-13H,2,4-8H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-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)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).