(5S)-1-thiaspiro[4.4]nonan-9-one

C8H12OS — CID 14923420

IUPAC(5S)-1-thiaspiro[4.4]nonan-9-one
SMILESO=C1CCC[C@]12CCCS2
InChIInChI=1S/C8H12OS/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyRUQAFNPMUNFINH-QMMMGPOBSA-N
MW156.25 g/mol
LogP2.01
Rot. Bonds

About (5S)-1-thiaspiro[4.4]nonan-9-one

(5S)-1-thiaspiro[4.4]nonan-9-one (PubChem CID 14923420) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (5S)-1-thiaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(5S)-1-thiaspiro[4.4]nonan-9-one
PubChem CID14923420
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(5S)-1-thiaspiro[4.4]nonan-9-one
SMILESO=C1CCC[C@]12CCCS2
InChIInChI=1S/C8H12OS/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyRUQAFNPMUNFINH-QMMMGPOBSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-Dithiolan-2-yl)cyclopentan-1-one
CID 3040117
2-(Thiolan-2-yl)cyclohexan-1-one
CID 11063090
1-Thiaspiro[4.4]nonan-6-one
CID 10931689
3-(5-Oxohexyl)thiolan-2-one
CID 135045412
4-[(3,3-Difluorocyclopentyl)methyl]thiolan-3-one
CID 130487358
2-(3,3-Difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
CID 130487702
4-[(2,2-Difluorocyclopentyl)methyl]thiolan-3-one
CID 130934234
2-(2,2-Difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
CID 131204231
1-Thiaspiro[4.5]decan-6-one
CID 11147979
1-Cyclopentyl-2-(thiolan-2-yl)ethanone
CID 18547429
1-Cyclohexyl-2-(thiolan-2-yl)ethanone
CID 18547435
1-Cyclopentyl-2-(thian-2-yl)ethanone
CID 18547595

Frequently Asked Questions

What is the IUPAC name of (5S)-1-thiaspiro[4.4]nonan-9-one?
The IUPAC name of (5S)-1-thiaspiro[4.4]nonan-9-one (CID 14923420) is (5S)-1-thiaspiro[4.4]nonan-9-one.
What is the SMILES notation for (5S)-1-thiaspiro[4.4]nonan-9-one?
The canonical SMILES for (5S)-1-thiaspiro[4.4]nonan-9-one is O=C1CCC[C@]12CCCS2.
What is the InChIKey of (5S)-1-thiaspiro[4.4]nonan-9-one?
The InChIKey is RUQAFNPMUNFINH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12OS/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1.
What are the key properties of (5S)-1-thiaspiro[4.4]nonan-9-one?
(5S)-1-thiaspiro[4.4]nonan-9-one has a molecular weight of 156.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-thiaspiro[4.4]nonan-9-one is sourced from PubChem (CID 14923420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).