3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine

C13H23NOS — CID 102898419

IUPAC3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine
SMILESC1CCC2(C1)CCC(CSCC1CNC1)O2
InChIInChI=1S/C13H23NOS/c1-2-5-13(4-1)6-3-12(15-13)10-16-9-11-7-14-8-11/h11-12,14H,1-10H2
InChIKeyADGMIDRCCGTDCE-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.43
Rot. Bonds4

About 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine

3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine (PubChem CID 102898419) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine
PubChem CID102898419
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine
SMILESC1CCC2(C1)CCC(CSCC1CNC1)O2
InChIInChI=1S/C13H23NOS/c1-2-5-13(4-1)6-3-12(15-13)10-16-9-11-7-14-8-11/h11-12,14H,1-10H2
InChIKeyADGMIDRCCGTDCE-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine with MolForge

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Related Compounds

5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
CID 102898844
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902632
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896298
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896297

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine?
The IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine (CID 102898419) is 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine.
What is the SMILES notation for 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine?
The canonical SMILES for 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine is C1CCC2(C1)CCC(CSCC1CNC1)O2.
What is the InChIKey of 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine?
The InChIKey is ADGMIDRCCGTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-2-5-13(4-1)6-3-12(15-13)10-16-9-11-7-14-8-11/h11-12,14H,1-10H2.
What are the key properties of 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine?
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine has a molecular weight of 241.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine is sourced from PubChem (CID 102898419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).