(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone

C10H11NO4S — CID 122273237

IUPAC(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C10H11NO4S/c12-10(9-2-1-3-15-9)11-5-8-4-7(11)6-16(8,13)14/h1-3,7-8H,4-6H2
InChIKeyGJIQNONFMRWPLZ-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.29
Rot. Bonds1

About (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone

(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone (PubChem CID 122273237) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
PubChem CID122273237
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C10H11NO4S/c12-10(9-2-1-3-15-9)11-5-8-4-7(11)6-16(8,13)14/h1-3,7-8H,4-6H2
InChIKeyGJIQNONFMRWPLZ-UHFFFAOYSA-N
XLogP0.29
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
(3-bromophenyl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122273176
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone?
The IUPAC name of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone (CID 122273237) is (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone?
The canonical SMILES for (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone is O=C(c1ccco1)N1CC2CC1CS2(=O)=O.
What is the InChIKey of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone?
The InChIKey is GJIQNONFMRWPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-10(9-2-1-3-15-9)11-5-8-4-7(11)6-16(8,13)14/h1-3,7-8H,4-6H2.
What are the key properties of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone?
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone has a molecular weight of 241.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 122273237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).