6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

C5H8O3S — CID 86248408

IUPAC6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESO=S1(=O)CC2(COC2)C1
InChIInChI=1S/C5H8O3S/c6-9(7)3-5(4-9)1-8-2-5/h1-4H2
InChIKeyNBZDMUMKMCNGMS-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.57
Rot. Bonds

About 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (PubChem CID 86248408) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
PubChem CID86248408
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESO=S1(=O)CC2(COC2)C1
InChIInChI=1S/C5H8O3S/c6-9(7)3-5(4-9)1-8-2-5/h1-4H2
InChIKeyNBZDMUMKMCNGMS-UHFFFAOYSA-N
XLogP-0.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Imino-2-oxa-6lambda6-thiaspiro[3.3]heptan-6-one
CID 117793048
3,3'-Sulfonylbis(methylene)bis(3-methyloxetane)
CID 71522687
6-Oxa-2lambda4-thiaspiro[3.3]heptane 2-oxide
CID 86248405
2-(Oxetan-2-ylsulfinyl)oxetane
CID 89514319
2-Methylsulfonyloxetane
CID 91442445
6-Oxa-1lambda6-thiaspiro[3.3]heptane 1,1-dioxide
CID 118609071
3-Methyl-3-(methylsulfonylmethyl)oxetane
CID 130139648
2-(Oxetan-2-ylsulfonyl)oxetane
CID 132117218
3-(Methoxymethyl)thietane 1,1-dioxide
CID 155624920
3-(Ethylsulfonylmethyl)-3-methyloxetane
CID 170388532
Ethane;6-oxa-2lambda4-thiaspiro[3.3]heptane 2-oxide
CID 177000947
3-(Methylsulfonylmethyl)oxetane
CID 117032062

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (CID 86248408) is 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is O=S1(=O)CC2(COC2)C1.
What is the InChIKey of 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is NBZDMUMKMCNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-9(7)3-5(4-9)1-8-2-5/h1-4H2.
What are the key properties of 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 148.18 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 86248408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).