3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one

C9H16N2O3S — CID 14976122

IUPAC3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCCCC2)NS1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-2-11-8(12)9(10-15(11,13)14)6-4-3-5-7-9/h10H,2-7H2,1H3
InChIKeyYWOHZSDNLSDXOK-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.39
Rot. Bonds1

About 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one

3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 14976122) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one
PubChem CID14976122
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCCCC2)NS1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-2-11-8(12)9(10-15(11,13)14)6-4-3-5-7-9/h10H,2-7H2,1H3
InChIKeyYWOHZSDNLSDXOK-UHFFFAOYSA-N
XLogP0.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one (CID 14976122) is 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one is CCN1C(=O)C2(CCCCC2)NS1(=O)=O.
What is the InChIKey of 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is YWOHZSDNLSDXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-11-8(12)9(10-15(11,13)14)6-4-3-5-7-9/h10H,2-7H2,1H3.
What are the key properties of 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one?
3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 232.30 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dioxo-2lambda6-thia-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 14976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).