5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide

C6H11NO2S — CID 22967051

IUPAC5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
SMILESCN1CC2CC1CS2(=O)=O
InChIInChI=1S/C6H11NO2S/c1-7-3-6-2-5(7)4-10(6,8)9/h5-6H,2-4H2,1H3
InChIKeyGBQGGFMQDRKTHW-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.51
Rot. Bonds

About 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide

5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide (PubChem CID 22967051) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide.

Molecular Properties

Compound Name5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
PubChem CID22967051
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
SMILESCN1CC2CC1CS2(=O)=O
InChIInChI=1S/C6H11NO2S/c1-7-3-6-2-5(7)4-10(6,8)9/h5-6H,2-4H2,1H3
InChIKeyGBQGGFMQDRKTHW-UHFFFAOYSA-N
XLogP-0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride
CID 122236456
1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
(1R,4R)-2lambda-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride
CID 135393383
2-Thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
CID 20581438
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608
(2,2-Dioxo-2lambda6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methyl-trifluoroboranuide
CID 133622706
5-Methyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 20758771
5-Methyl-5-oxido-2lambda6-thia-5-azoniabicyclo[2.2.1]heptane 2,2-dioxide
CID 22967053
1-(1-Ethylsulfonylpentan-2-yl)piperidine
CID 53869953
1-(1-Ethylsulfonylbutan-2-yl)piperidine
CID 54548586
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
CID 55299066
(4R)-5-methyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 59087260

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide?
The IUPAC name of 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide (CID 22967051) is 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide.
What is the SMILES notation for 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide?
The canonical SMILES for 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide is CN1CC2CC1CS2(=O)=O.
What is the InChIKey of 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide?
The InChIKey is GBQGGFMQDRKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-7-3-6-2-5(7)4-10(6,8)9/h5-6H,2-4H2,1H3.
What are the key properties of 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide?
5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide is sourced from PubChem (CID 22967051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).