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

C13H15NO4S — CID 122273154

IUPAC(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C13H15NO4S/c1-18-12-5-3-2-4-11(12)13(15)14-7-10-6-9(14)8-19(10,16)17/h2-5,9-10H,6-8H2,1H3
InChIKeyYSSHGFOPLZBSGI-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.71
Rot. Bonds2

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

(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone (PubChem CID 122273154) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
PubChem CID122273154
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC2CC1CS2(=O)=O
InChIInChI=1S/C13H15NO4S/c1-18-12-5-3-2-4-11(12)13(15)14-7-10-6-9(14)8-19(10,16)17/h2-5,9-10H,6-8H2,1H3
InChIKeyYSSHGFOPLZBSGI-UHFFFAOYSA-N
XLogP0.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptane-5-carbonyl)-8-methoxychromen-2-one
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(2,5-dichlorothiophen-3-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122273408
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CID 110727631
(2-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740534
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
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(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
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[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
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Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone (CID 122273154) is (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC2CC1CS2(=O)=O.
What is the InChIKey of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YSSHGFOPLZBSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-18-12-5-3-2-4-11(12)13(15)14-7-10-6-9(14)8-19(10,16)17/h2-5,9-10H,6-8H2,1H3.
What are the key properties of (2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone?
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone has a molecular weight of 281.33 g/mol, XLogP of 0.71, 2 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)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 122273154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).