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

C6H10O4S — CID 538691

IUPAC5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC12CS(=O)(=O)CC(CO1)O2
InChIInChI=1S/C6H10O4S/c1-6-4-11(7,8)3-5(10-6)2-9-6/h5H,2-4H2,1H3
InChIKeyVYHXEHGWWRGBFU-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.45
Rot. Bonds

About 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide

5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (PubChem CID 538691) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.

Molecular Properties

Compound Name5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
PubChem CID538691
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC12CS(=O)(=O)CC(CO1)O2
InChIInChI=1S/C6H10O4S/c1-6-4-11(7,8)3-5(10-6)2-9-6/h5H,2-4H2,1H3
InChIKeyVYHXEHGWWRGBFU-UHFFFAOYSA-N
XLogP-0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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-thia-bicyclo(3,2,1)octane
CID 536590
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537249
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
1,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537883
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
6,8-Dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 545541
2,2-Dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane
CID 14522772
4-(Methylsulfonylmethyl)-1,3-dioxolane
CID 89314053

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The IUPAC name of 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (CID 538691) is 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.
What is the SMILES notation for 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The canonical SMILES for 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is CC12CS(=O)(=O)CC(CO1)O2.
What is the InChIKey of 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The InChIKey is VYHXEHGWWRGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-6-4-11(7,8)3-5(10-6)2-9-6/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide has a molecular weight of 178.21 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is sourced from PubChem (CID 538691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).