(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one

C7H10OS — CID 10877220

IUPAC(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)S2
InChIInChI=1S/C7H10OS/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2/t6-,7+
InChIKeyWRKYCQOFEBORNV-KNVOCYPGSA-N
MW142.22 g/mol
LogP1.61
Rot. Bonds

About (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one

(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one (PubChem CID 10877220) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one
PubChem CID10877220
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)S2
InChIInChI=1S/C7H10OS/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2/t6-,7+
InChIKeyWRKYCQOFEBORNV-KNVOCYPGSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-thiabicyclo[3.2.1]octan-3-ylidene)acetic acid
CID 171951528
bicyclo[3.2.0]heptan-3-one
CID 12550422
4,4-difluoro-10-thiabicyclo[4.3.1]decan-3-one
CID 171936955
3-(methoxymethylidene)-8-thiabicyclo[3.2.1]octane
CID 171951611
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
2-thiabicyclo[2.2.2]octan-3-one
CID 54453308
5-aminopyrrolidin-2-one
CID 12638466
CID 59102215
CID 59102215
(5S)-5-aminopiperidin-2-one;hydrochloride
CID 42614518
5-aminopiperidin-2-one;hydrochloride
CID 47002940

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one (CID 10877220) is (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one is O=C1C[C@H]2CC[C@@H](C1)S2.
What is the InChIKey of (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one?
The InChIKey is WRKYCQOFEBORNV-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H10OS/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2/t6-,7+.
What are the key properties of (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one?
(1R,5S)-8-thiabicyclo[3.2.1]octan-3-one has a molecular weight of 142.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 10877220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).