5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one

C10H19NO2S — CID 99828226

IUPAC5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one
SMILESCSCCCCC(=O)N1CCCCO1
InChIInChI=1S/C10H19NO2S/c1-14-9-5-2-6-10(12)11-7-3-4-8-13-11/h2-9H2,1H3
InChIKeyVNLRQZJSSSCISU-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.07
Rot. Bonds5

About 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one

5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one (PubChem CID 99828226) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one.

Molecular Properties

Compound Name5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one
PubChem CID99828226
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one
SMILESCSCCCCC(=O)N1CCCCO1
InChIInChI=1S/C10H19NO2S/c1-14-9-5-2-6-10(12)11-7-3-4-8-13-11/h2-9H2,1H3
InChIKeyVNLRQZJSSSCISU-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one?
The IUPAC name of 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one (CID 99828226) is 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one.
What is the SMILES notation for 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one?
The canonical SMILES for 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one is CSCCCCC(=O)N1CCCCO1.
What is the InChIKey of 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one?
The InChIKey is VNLRQZJSSSCISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14-9-5-2-6-10(12)11-7-3-4-8-13-11/h2-9H2,1H3.
What are the key properties of 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one?
5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one has a molecular weight of 217.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-(oxazinan-2-yl)pentan-1-one is sourced from PubChem (CID 99828226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).