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

C13H22N2O2S — CID 43778776

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C13H22N2O2S/c1-18(16,17)15-7-5-11(6-8-15)14-13-9-10-3-2-4-12(10)13/h2,4,10-14H,3,5-9H2,1H3
InChIKeyREIHZBKWNASTGT-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.96
Rot. Bonds3

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

N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43778776) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43778776
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C13H22N2O2S/c1-18(16,17)15-7-5-11(6-8-15)14-13-9-10-3-2-4-12(10)13/h2,4,10-14H,3,5-9H2,1H3
InChIKeyREIHZBKWNASTGT-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.96
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-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine (CID 43778776) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is REIHZBKWNASTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-18(16,17)15-7-5-11(6-8-15)14-13-9-10-3-2-4-12(10)13/h2,4,10-14H,3,5-9H2,1H3.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 270.40 g/mol, XLogP of 0.96, 3 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-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43778776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).