4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one

C10H17NO2S — CID 655188

IUPAC4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1CCO
InChIInChI=1S/C10H17NO2S/c12-7-6-11-9(13)8-14-10(11)4-2-1-3-5-10/h12H,1-8H2
InChIKeyPYFRHVWIPXKAHD-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.21
Rot. Bonds2

About 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 655188) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID655188
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESO=C1CSC2(CCCCC2)N1CCO
InChIInChI=1S/C10H17NO2S/c12-7-6-11-9(13)8-14-10(11)4-2-1-3-5-10/h12H,1-8H2
InChIKeyPYFRHVWIPXKAHD-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.21
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[4.5]decan-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 655188) is 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one is O=C1CSC2(CCCCC2)N1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is PYFRHVWIPXKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-7-6-11-9(13)8-14-10(11)4-2-1-3-5-10/h12H,1-8H2.
What are the key properties of 4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 215.32 g/mol, XLogP of 1.21, 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[4.5]decan-3-one is sourced from PubChem (CID 655188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).