3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide

C9H16O3S — CID 22625817

IUPAC3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide
SMILESO=S1(=O)CCCCCC2CCOC21
InChIInChI=1S/C9H16O3S/c10-13(11)7-3-1-2-4-8-5-6-12-9(8)13/h8-9H,1-7H2
InChIKeyILFFCACBOPDFEE-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.34
Rot. Bonds

About 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide

3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide (PubChem CID 22625817) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide.

Molecular Properties

Compound Name3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide
PubChem CID22625817
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide
SMILESO=S1(=O)CCCCCC2CCOC21
InChIInChI=1S/C9H16O3S/c10-13(11)7-3-1-2-4-8-5-6-12-9(8)13/h8-9H,1-7H2
InChIKeyILFFCACBOPDFEE-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide?
The IUPAC name of 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide (CID 22625817) is 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide.
What is the SMILES notation for 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide?
The canonical SMILES for 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide is O=S1(=O)CCCCCC2CCOC21.
What is the InChIKey of 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide?
The InChIKey is ILFFCACBOPDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-13(11)7-3-1-2-4-8-5-6-12-9(8)13/h8-9H,1-7H2.
What are the key properties of 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide?
3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7,8,9a-octahydro-2H-thiocino[2,3-b]furan 9,9-dioxide is sourced from PubChem (CID 22625817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).