1-thiaspiro[4.5]decan-6-one

C9H14OS — CID 11147979

IUPAC1-thiaspiro[4.5]decan-6-one
SMILESO=C1CCCCC12CCCS2
InChIInChI=1S/C9H14OS/c10-8-4-1-2-5-9(8)6-3-7-11-9/h1-7H2
InChIKeyYXQUASRQAJMEOR-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.40
Rot. Bonds

About 1-thiaspiro[4.5]decan-6-one

1-thiaspiro[4.5]decan-6-one (PubChem CID 11147979) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-thiaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name1-thiaspiro[4.5]decan-6-one
PubChem CID11147979
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-thiaspiro[4.5]decan-6-one
SMILESO=C1CCCCC12CCCS2
InChIInChI=1S/C9H14OS/c10-8-4-1-2-5-9(8)6-3-7-11-9/h1-7H2
InChIKeyYXQUASRQAJMEOR-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiaspiro[4.5]decan-6-one?
The IUPAC name of 1-thiaspiro[4.5]decan-6-one (CID 11147979) is 1-thiaspiro[4.5]decan-6-one.
What is the SMILES notation for 1-thiaspiro[4.5]decan-6-one?
The canonical SMILES for 1-thiaspiro[4.5]decan-6-one is O=C1CCCCC12CCCS2.
What is the InChIKey of 1-thiaspiro[4.5]decan-6-one?
The InChIKey is YXQUASRQAJMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c10-8-4-1-2-5-9(8)6-3-7-11-9/h1-7H2.
What are the key properties of 1-thiaspiro[4.5]decan-6-one?
1-thiaspiro[4.5]decan-6-one has a molecular weight of 170.28 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiaspiro[4.5]decan-6-one is sourced from PubChem (CID 11147979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).