N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H23NO3S — CID 71971299

IUPACN-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C(=O)C1CC2C=CC1C2)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-16(13-4-3-5-14(13)20(2,18)19)15(17)12-9-10-6-7-11(12)8-10/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyJBNCIEGCGBOXCZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 71971299) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID71971299
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C(=O)C1CC2C=CC1C2)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-16(13-4-3-5-14(13)20(2,18)19)15(17)12-9-10-6-7-11(12)8-10/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyJBNCIEGCGBOXCZ-UHFFFAOYSA-N
XLogP1.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
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-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 71971299) is N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(C(=O)C1CC2C=CC1C2)C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JBNCIEGCGBOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-16(13-4-3-5-14(13)20(2,18)19)15(17)12-9-10-6-7-11(12)8-10/h6-7,10-14H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 71971299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).