2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide

C11H21NO3S — CID 66179944

IUPAC2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCC(C)CC1(C)CNC2CS(=O)(=O)CC2O1
InChIInChI=1S/C11H21NO3S/c1-8(2)4-11(3)7-12-9-5-16(13,14)6-10(9)15-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBOHGRRKGAZWRFP-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.58
Rot. Bonds2

About 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide

2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide (PubChem CID 66179944) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
PubChem CID66179944
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCC(C)CC1(C)CNC2CS(=O)(=O)CC2O1
InChIInChI=1S/C11H21NO3S/c1-8(2)4-11(3)7-12-9-5-16(13,14)6-10(9)15-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBOHGRRKGAZWRFP-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The IUPAC name of 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide (CID 66179944) is 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide is CC(C)CC1(C)CNC2CS(=O)(=O)CC2O1.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The InChIKey is BOHGRRKGAZWRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8(2)4-11(3)7-12-9-5-16(13,14)6-10(9)15-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide is sourced from PubChem (CID 66179944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).