5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C15H17NO3S — CID 71790498

IUPAC5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)C1(c3cccs3)CCCC1)C2
InChIInChI=1S/C15H17NO3S/c17-13-11-8-10(19-13)9-16(11)14(18)15(5-1-2-6-15)12-4-3-7-20-12/h3-4,7,10-11H,1-2,5-6,8-9H2
InChIKeyBNKSZEIMLLCMOE-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.09
Rot. Bonds2

About 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 71790498) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID71790498
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)C1(c3cccs3)CCCC1)C2
InChIInChI=1S/C15H17NO3S/c17-13-11-8-10(19-13)9-16(11)14(18)15(5-1-2-6-15)12-4-3-7-20-12/h3-4,7,10-11H,1-2,5-6,8-9H2
InChIKeyBNKSZEIMLLCMOE-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one with MolForge

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Related Compounds

(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 90566854
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 100719123
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 71790498) is 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2CC1N(C(=O)C1(c3cccs3)CCCC1)C2.
What is the InChIKey of 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is BNKSZEIMLLCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-13-11-8-10(19-13)9-16(11)14(18)15(5-1-2-6-15)12-4-3-7-20-12/h3-4,7,10-11H,1-2,5-6,8-9H2.
What are the key properties of 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 291.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylcyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 71790498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).