10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one

C12H19NO2S — CID 165466878

IUPAC10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
SMILESO=C1CC2(CCSCC2)C2(CCOCC2)N1
InChIInChI=1S/C12H19NO2S/c14-10-9-11(3-7-16-8-4-11)12(13-10)1-5-15-6-2-12/h1-9H2,(H,13,14)
InChIKeyXFESYCMPFBHOLP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.57
Rot. Bonds

About 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one

10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one (PubChem CID 165466878) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one.

Molecular Properties

Compound Name10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
PubChem CID165466878
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
SMILESO=C1CC2(CCSCC2)C2(CCOCC2)N1
InChIInChI=1S/C12H19NO2S/c14-10-9-11(3-7-16-8-4-11)12(13-10)1-5-15-6-2-12/h1-9H2,(H,13,14)
InChIKeyXFESYCMPFBHOLP-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one
CID 165462683
11-oxa-15-azadispiro[5.0.57.36]pentadecan-14-one
CID 165467497
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 170903891
1,4-oxathiane
CID 157277006
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
Borane 1,4-thioxane
CID 11137144
(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 51885348
1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione
CID 10915538
spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
CID 84697857
7-oxaspiro[3.5]nonan-2-one
CID 67451909

Frequently Asked Questions

What is the IUPAC name of 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one?
The IUPAC name of 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one (CID 165466878) is 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one.
What is the SMILES notation for 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one?
The canonical SMILES for 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one is O=C1CC2(CCSCC2)C2(CCOCC2)N1.
What is the InChIKey of 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one?
The InChIKey is XFESYCMPFBHOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c14-10-9-11(3-7-16-8-4-11)12(13-10)1-5-15-6-2-12/h1-9H2,(H,13,14).
What are the key properties of 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one?
10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one has a molecular weight of 241.36 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one is sourced from PubChem (CID 165466878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).