1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one

C14H17NOS — CID 66103731

IUPAC1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCSCC2)C(c2ccccc2)N1
InChIInChI=1S/C14H17NOS/c16-12-10-14(6-8-17-9-7-14)13(15-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,15,16)
InChIKeyYCHKPNKQDDEWEZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.76
Rot. Bonds1

About 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one

1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one (PubChem CID 66103731) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one
PubChem CID66103731
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCSCC2)C(c2ccccc2)N1
InChIInChI=1S/C14H17NOS/c16-12-10-14(6-8-17-9-7-14)13(15-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,15,16)
InChIKeyYCHKPNKQDDEWEZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one (CID 66103731) is 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCSCC2)C(c2ccccc2)N1.
What is the InChIKey of 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one?
The InChIKey is YCHKPNKQDDEWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-12-10-14(6-8-17-9-7-14)13(15-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,15,16).
What are the key properties of 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one?
1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one has a molecular weight of 247.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66103731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).