6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C11H22N2O4S — CID 136541403

IUPAC6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCS(=O)(=O)N1CCC2OCCN(C)C2C1
InChIInChI=1S/C11H22N2O4S/c1-12-5-6-17-11-3-4-13(9-10(11)12)18(14,15)8-7-16-2/h10-11H,3-9H2,1-2H3
InChIKeyJZMZLCIVECUAMF-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.63
Rot. Bonds4

About 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 136541403) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID136541403
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCS(=O)(=O)N1CCC2OCCN(C)C2C1
InChIInChI=1S/C11H22N2O4S/c1-12-5-6-17-11-3-4-13(9-10(11)12)18(14,15)8-7-16-2/h10-11H,3-9H2,1-2H3
InChIKeyJZMZLCIVECUAMF-UHFFFAOYSA-N
XLogP-0.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 136541403) is 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is COCCS(=O)(=O)N1CCC2OCCN(C)C2C1.
What is the InChIKey of 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is JZMZLCIVECUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12-5-6-17-11-3-4-13(9-10(11)12)18(14,15)8-7-16-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 278.37 g/mol, XLogP of -0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfonyl)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 136541403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).