3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide

C10H19NO3S — CID 64551944

IUPAC3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide
SMILESCCC1(C)COC2CCS(=O)(=O)CC2N1
InChIInChI=1S/C10H19NO3S/c1-3-10(2)7-14-9-4-5-15(12,13)6-8(9)11-10/h8-9,11H,3-7H2,1-2H3
InChIKeyBIHNMEOQKMDFBH-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds1

About 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide

3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide (PubChem CID 64551944) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide.

Molecular Properties

Compound Name3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide
PubChem CID64551944
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide
SMILESCCC1(C)COC2CCS(=O)(=O)CC2N1
InChIInChI=1S/C10H19NO3S/c1-3-10(2)7-14-9-4-5-15(12,13)6-8(9)11-10/h8-9,11H,3-7H2,1-2H3
InChIKeyBIHNMEOQKMDFBH-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide?
The IUPAC name of 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide (CID 64551944) is 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide.
What is the SMILES notation for 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide?
The canonical SMILES for 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide is CCC1(C)COC2CCS(=O)(=O)CC2N1.
What is the InChIKey of 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide?
The InChIKey is BIHNMEOQKMDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-10(2)7-14-9-4-5-15(12,13)6-8(9)11-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide?
3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide has a molecular weight of 233.33 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide is sourced from PubChem (CID 64551944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).