8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide

C9H17NO2S — CID 146188761

IUPAC8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC(C)N1C2CCC1CS(=O)(=O)C2
InChIInChI=1S/C9H17NO2S/c1-7(2)10-8-3-4-9(10)6-13(11,12)5-8/h7-9H,3-6H2,1-2H3
InChIKeyYXFTXZNVGQSRDH-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.66
Rot. Bonds1

About 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide

8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide (PubChem CID 146188761) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide.

Molecular Properties

Compound Name8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
PubChem CID146188761
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC(C)N1C2CCC1CS(=O)(=O)C2
InChIInChI=1S/C9H17NO2S/c1-7(2)10-8-3-4-9(10)6-13(11,12)5-8/h7-9H,3-6H2,1-2H3
InChIKeyYXFTXZNVGQSRDH-UHFFFAOYSA-N
XLogP0.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
(3S)-3-(azepan-1-yl)thiolane 1,1-dioxide
CID 7116131
1-[(1,1-Dioxidotetrahydro-3-thienyl)sulfonyl]-2-methylpiperidine
CID 22693957
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608
(2S,3R)-3-piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 21781764
3-Piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 73839107
1-(1,1-Dioxidotetrahydro-3-thienyl)azepane
CID 4122396
5-Methyl-2lambda6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
CID 22967051
1-(2-Methylsulfonylethyl)-4-pyrrolidin-1-ylpiperidine
CID 52343564
1-(1-Ethylsulfonylhexan-2-yl)piperidine
CID 53634843
1-Ethyl-2-(2-methylsulfonylethyl)piperidine
CID 53684539
1-(1-Ethylsulfonylpentan-2-yl)piperidine
CID 53869953

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The IUPAC name of 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide (CID 146188761) is 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide.
What is the SMILES notation for 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The canonical SMILES for 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide is CC(C)N1C2CCC1CS(=O)(=O)C2.
What is the InChIKey of 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The InChIKey is YXFTXZNVGQSRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2)10-8-3-4-9(10)6-13(11,12)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide is sourced from PubChem (CID 146188761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).