(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one

C8H12O2S — CID 101362573

IUPAC(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(C1)OCCS2
InChIInChI=1S/C8H12O2S/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-6H2/t8-/m0/s1
InChIKeyUYYASBFPYVRFOV-QMMMGPOBSA-N
MW172.25 g/mol
LogP1.59
Rot. Bonds

About (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one

(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one (PubChem CID 101362573) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one
PubChem CID101362573
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(C1)OCCS2
InChIInChI=1S/C8H12O2S/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-6H2/t8-/m0/s1
InChIKeyUYYASBFPYVRFOV-QMMMGPOBSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one?
The IUPAC name of (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one (CID 101362573) is (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one.
What is the SMILES notation for (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one?
The canonical SMILES for (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one is O=C1CCC[C@]2(C1)OCCS2.
What is the InChIKey of (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one?
The InChIKey is UYYASBFPYVRFOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2S/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-6H2/t8-/m0/s1.
What are the key properties of (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one?
(5S)-1-oxa-4-thiaspiro[4.5]decan-7-one has a molecular weight of 172.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-oxa-4-thiaspiro[4.5]decan-7-one is sourced from PubChem (CID 101362573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).