3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide

C11H19NO2S — CID 115037462

IUPAC3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCC3CCC2N3)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)6-5-8(7-15)10-3-1-9-2-4-11(10)12-9/h8-12H,1-7H2
InChIKeyNBWNWLFYRHAZOF-UHFFFAOYSA-N
MW229.34 g/mol
LogP0.95
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide

3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide (PubChem CID 115037462) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide
PubChem CID115037462
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCC3CCC2N3)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)6-5-8(7-15)10-3-1-9-2-4-11(10)12-9/h8-12H,1-7H2
InChIKeyNBWNWLFYRHAZOF-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
2-(1,1-dioxothian-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115048531
2-(1,1-dioxothian-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 115048078
3-(4-bromothiolan-3-yl)thiolane 1,1-dioxide
CID 83190413
2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62738839
3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide
CID 55107252
2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
CID 115015773
2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine
CID 61382222
5-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7131544
3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)thiolane 1,1-dioxide
CID 102678265
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846

Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide (CID 115037462) is 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(C2CCC3CCC2N3)C1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide?
The InChIKey is NBWNWLFYRHAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)6-5-8(7-15)10-3-1-9-2-4-11(10)12-9/h8-12H,1-7H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide?
3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide has a molecular weight of 229.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 115037462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).