4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one

C11H19NO2S — CID 15326618

IUPAC4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
SMILESO=C1CSC2(CCCCCC2)N1CCO
InChIInChI=1S/C11H19NO2S/c13-8-7-12-10(14)9-15-11(12)5-3-1-2-4-6-11/h13H,1-9H2
InChIKeyUKZXTXJKBFPKJI-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.60
Rot. Bonds2

About 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one

4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one (PubChem CID 15326618) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
PubChem CID15326618
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
SMILESO=C1CSC2(CCCCCC2)N1CCO
InChIInChI=1S/C11H19NO2S/c13-8-7-12-10(14)9-15-11(12)5-3-1-2-4-6-11/h13H,1-9H2
InChIKeyUKZXTXJKBFPKJI-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one (CID 15326618) is 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one is O=C1CSC2(CCCCCC2)N1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one?
The InChIKey is UKZXTXJKBFPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-8-7-12-10(14)9-15-11(12)5-3-1-2-4-6-11/h13H,1-9H2.
What are the key properties of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one?
4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one has a molecular weight of 229.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one is sourced from PubChem (CID 15326618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).