N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H23NOS — CID 71869268

IUPACN-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCSC1CCC(NC(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17)
InChIKeyIDKJJYAJCQBDCA-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.99
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 71869268) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID71869268
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCSC1CCC(NC(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17)
InChIKeyIDKJJYAJCQBDCA-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275568
(2S)-N-(2,3-dihydrothiophen-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 70889004
(2S)-N-(2,3-dihydrothiophen-5-ylmethyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 70889006
N-butan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909913
2-cyclopent-2-en-1-yl-N-(2-ethylsulfanylcyclopentyl)acetamide
CID 71863536
N-(2-ethylsulfanylcyclopentyl)cyclohex-3-ene-1-carboxamide
CID 71979775
N-(2-methyl-2-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71987370
N-(4-ethylsulfanylbutan-2-yl)cyclohex-3-ene-1-carboxamide
CID 71993221
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 72010969
N-(3-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 72131101
(1R,2R,4R)-N-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 92249362

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 71869268) is N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CCSC1CCC(NC(=O)C2CC3C=CC2C3)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IDKJJYAJCQBDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-18-13-6-5-12(9-13)16-15(17)14-8-10-3-4-11(14)7-10/h3-4,10-14H,2,5-9H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 265.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 71869268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).