3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine

C13H23NO2S — CID 83065900

IUPAC3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
SMILESCC1(OC2CCOC3(CCSCC3)C2)CNC1
InChIInChI=1S/C13H23NO2S/c1-12(9-14-10-12)16-11-2-5-15-13(8-11)3-6-17-7-4-13/h11,14H,2-10H2,1H3
InChIKeyOLBKSQVFQKCSOI-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.81
Rot. Bonds2

About 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine

3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine (PubChem CID 83065900) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine.

Molecular Properties

Compound Name3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
PubChem CID83065900
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
SMILESCC1(OC2CCOC3(CCSCC3)C2)CNC1
InChIInChI=1S/C13H23NO2S/c1-12(9-14-10-12)16-11-2-5-15-13(8-11)3-6-17-7-4-13/h11,14H,2-10H2,1H3
InChIKeyOLBKSQVFQKCSOI-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819
2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
CID 102633738
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine
CID 79899132
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine?
The IUPAC name of 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine (CID 83065900) is 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine.
What is the SMILES notation for 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine?
The canonical SMILES for 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine is CC1(OC2CCOC3(CCSCC3)C2)CNC1.
What is the InChIKey of 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine?
The InChIKey is OLBKSQVFQKCSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-12(9-14-10-12)16-11-2-5-15-13(8-11)3-6-17-7-4-13/h11,14H,2-10H2,1H3.
What are the key properties of 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine?
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine has a molecular weight of 257.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine is sourced from PubChem (CID 83065900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).