(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane

C8H14O2S — CID 135016905

IUPAC(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESC[C@@H]1CSCCC12OCCO2
InChIInChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyBFPWBWCLLHKMMA-SSDOTTSWSA-N
MW174.26 g/mol
LogP1.50
Rot. Bonds

About (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane

(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane (PubChem CID 135016905) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane.

Molecular Properties

Compound Name(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
PubChem CID135016905
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESC[C@@H]1CSCCC12OCCO2
InChIInChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyBFPWBWCLLHKMMA-SSDOTTSWSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,3-Dioxolane, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56940
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56941
1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl-
CID 59228
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-((3-methylbutyl)thio)ethyl)-
CID 59229
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(pentylthio)ethyl)-
CID 59230
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 554057
6-Methyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 20714664
3,3-Diethyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 57969494
7-(1-Methylethyl)-1,4-dioxa-8-thiaspiro[4.5]decane
CID 59332732
8-Methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
CID 140854973
3,3-Dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 143482244

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The IUPAC name of (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane (CID 135016905) is (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane.
What is the SMILES notation for (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The canonical SMILES for (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane is C[C@@H]1CSCCC12OCCO2.
What is the InChIKey of (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The InChIKey is BFPWBWCLLHKMMA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7-6-11-5-2-8(7)9-3-4-10-8/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane?
(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane has a molecular weight of 174.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane is sourced from PubChem (CID 135016905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).