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

C10H10BrNO4S — CID 122273238

IUPAC(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C10H10BrNO4S/c11-9-2-1-8(16-9)10(13)12-4-7-3-6(12)5-17(7,14)15/h1-2,6-7H,3-5H2
InChIKeySGYMRWBZANHDDZ-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.05
Rot. Bonds1

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

(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122273238) has the molecular formula C10H10BrNO4S and a molecular weight of 320.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122273238
Molecular FormulaC10H10BrNO4S
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C10H10BrNO4S/c11-9-2-1-8(16-9)10(13)12-4-7-3-6(12)5-17(7,14)15/h1-2,6-7H,3-5H2
InChIKeySGYMRWBZANHDDZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(furan-2-yl)methanone
CID 122273237
[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 115643711
(3-bromophenyl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122273176
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-pyridin-4-ylmethanone
CID 122273283
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(5-bromofuran-2-yl)methanone
CID 80678409
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122273238) is (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccc(Br)o1)N1CC2CC1CS2(=O)=O.
What is the InChIKey of (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is SGYMRWBZANHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4S/c11-9-2-1-8(16-9)10(13)12-4-7-3-6(12)5-17(7,14)15/h1-2,6-7H,3-5H2.
What are the key properties of (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 320.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122273238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).