4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C12H20N2O2S — CID 110197133

IUPAC4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1C1CCCC1
InChIInChI=1S/C12H20N2O2S/c15-11-9-17(16)12(5-7-13-8-6-12)14(11)10-3-1-2-4-10/h10,13H,1-9H2
InChIKeyACYFJWHDSPNIPO-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.60
Rot. Bonds1

About 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 110197133) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID110197133
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1C1CCCC1
InChIInChI=1S/C12H20N2O2S/c15-11-9-17(16)12(5-7-13-8-6-12)14(11)10-3-1-2-4-10/h10,13H,1-9H2
InChIKeyACYFJWHDSPNIPO-UHFFFAOYSA-N
XLogP0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 110197133) is 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is O=C1CS(=O)C2(CCNCC2)N1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ACYFJWHDSPNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c15-11-9-17(16)12(5-7-13-8-6-12)14(11)10-3-1-2-4-10/h10,13H,1-9H2.
What are the key properties of 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 256.37 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 110197133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).