(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

C7H12O3S — CID 167079491

IUPAC(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESC[C@@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C7H12O3S/c1-6-2-11(8,9)5-7(6)3-10-4-7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyRJWDNUAUYPJALH-ZCFIWIBFSA-N
MW176.24 g/mol
LogP0.07
Rot. Bonds

About (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (PubChem CID 167079491) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.

Molecular Properties

Compound Name(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
PubChem CID167079491
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESC[C@@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C7H12O3S/c1-6-2-11(8,9)5-7(6)3-10-4-7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyRJWDNUAUYPJALH-ZCFIWIBFSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)thiolane 1,1-dioxide
CID 57609419
3-Ethyl-3-(methylsulfonylmethyl)oxetane
CID 68471956
7-Oxa-2lambda6-thiaspiro[3.4]octane 2,2-dioxide
CID 118609045
2-Oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 118609077
2-Oxa-6lambda4-thiaspiro[3.4]octane 6-oxide
CID 118609093
3-(3-Methylbutylsulfonylmethyl)-3-propan-2-yloxetane
CID 140915565
3-(Ethoxymethyl)thiolane 1,1-dioxide
CID 156869117
(8R)-8-propan-2-yl-2-oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 167079492
(8R)-8-ethyl-2-oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 167079530
(8S)-8-ethyl-2-oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 167079534
3-(Tert-butylsulfinylmethyl)-3-propan-2-yloxetane
CID 167638313
(8S)-8-propan-2-yl-2-oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 176624995

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The IUPAC name of (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (CID 167079491) is (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.
What is the SMILES notation for (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The canonical SMILES for (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is C[C@@H]1CS(=O)(=O)CC12COC2.
What is the InChIKey of (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The InChIKey is RJWDNUAUYPJALH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3S/c1-6-2-11(8,9)5-7(6)3-10-4-7/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
(8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide has a molecular weight of 176.24 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is sourced from PubChem (CID 167079491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).