(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane

C8H14O2S — CID 12992189

IUPAC(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
SMILESC[C@H]1CS[C@]2(CCCCO2)O1
InChIInChI=1S/C8H14O2S/c1-7-6-11-8(10-7)4-2-3-5-9-8/h7H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDHUUUFAKAJLZLB-YUMQZZPRSA-N
MW174.26 g/mol
LogP1.99
Rot. Bonds

About (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane

(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane (PubChem CID 12992189) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
PubChem CID12992189
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
SMILESC[C@H]1CS[C@]2(CCCCO2)O1
InChIInChI=1S/C8H14O2S/c1-7-6-11-8(10-7)4-2-3-5-9-8/h7H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDHUUUFAKAJLZLB-YUMQZZPRSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 12992188
(2R,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 134861164
1,6-Dioxa-9-thiaspiro[4.5]decane
CID 139291519
2-[(3S,4R)-4-methylthiolan-3-yl]oxyoxane
CID 10104321
2-[(3S)-thiolan-3-yl]oxyoxane
CID 10330123
2-[(3R)-thiolan-3-yl]oxyoxane
CID 10397609
2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane
CID 10397957
(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11322624
(2R)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
CID 99838767
(2S)-2-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
CID 99838768
(2R)-2-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
CID 99838769
(2S)-2-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]ethoxy]oxane
CID 99838770

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane?
The IUPAC name of (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane (CID 12992189) is (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane?
The canonical SMILES for (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane is C[C@H]1CS[C@]2(CCCCO2)O1.
What is the InChIKey of (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane?
The InChIKey is DHUUUFAKAJLZLB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7-6-11-8(10-7)4-2-3-5-9-8/h7H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane?
(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane has a molecular weight of 174.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 12992189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).