6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide

C5H8O4S — CID 545541

IUPAC6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESO=S1(=O)CC2COC(C1)O2
InChIInChI=1S/C5H8O4S/c6-10(7)2-4-1-8-5(3-10)9-4/h4-5H,1-3H2
InChIKeyRRPPMEYUTAXCAX-UHFFFAOYSA-N
MW164.18 g/mol
LogP-0.84
Rot. Bonds

About 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide

6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (PubChem CID 545541) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.

Molecular Properties

Compound Name6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
PubChem CID545541
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESO=S1(=O)CC2COC(C1)O2
InChIInChI=1S/C5H8O4S/c6-10(7)2-4-1-8-5(3-10)9-4/h4-5H,1-3H2
InChIKeyRRPPMEYUTAXCAX-UHFFFAOYSA-N
XLogP-0.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-Dioxa-3-thiabicyclo[3.2.1]octane
CID 534531
(1R,5R)-4,5-dimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
CID 134892427
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 536515
5-Methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide
CID 538691
5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538710
4b,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 538722
4beta,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538769
4b-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 548286
3,4-Bis(1-methoxyethoxy)thiolane 1,1-dioxide
CID 70598976
4-(Ethylsulfonylmethyl)-1,3-dioxolane
CID 89314081
1,4-Dioxa-8-thiaspiro[4.5]decane 8,8-dioxide
CID 160863601

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The IUPAC name of 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (CID 545541) is 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.
What is the SMILES notation for 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The canonical SMILES for 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is O=S1(=O)CC2COC(C1)O2.
What is the InChIKey of 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The InChIKey is RRPPMEYUTAXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S/c6-10(7)2-4-1-8-5(3-10)9-4/h4-5H,1-3H2.
What are the key properties of 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide has a molecular weight of 164.18 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is sourced from PubChem (CID 545541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).