3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one

C9H15NO3S — CID 105471489

IUPAC3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCSC2)CN1CCO
InChIInChI=1S/C9H15NO3S/c11-4-3-10-6-9(13-8(10)12)2-1-5-14-7-9/h11H,1-7H2
InChIKeySARITFORDGYDSL-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.70
Rot. Bonds2

About 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one

3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one (PubChem CID 105471489) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
PubChem CID105471489
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCSC2)CN1CCO
InChIInChI=1S/C9H15NO3S/c11-4-3-10-6-9(13-8(10)12)2-1-5-14-7-9/h11H,1-7H2
InChIKeySARITFORDGYDSL-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one (CID 105471489) is 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCCSC2)CN1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one?
The InChIKey is SARITFORDGYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-4-3-10-6-9(13-8(10)12)2-1-5-14-7-9/h11H,1-7H2.
What are the key properties of 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one?
3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one has a molecular weight of 217.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 105471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).