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

C7H13NO3S — CID 60885517

IUPAC2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCC1CNC2CS(=O)(=O)CC2O1
InChIInChI=1S/C7H13NO3S/c1-5-2-8-6-3-12(9,10)4-7(6)11-5/h5-8H,2-4H2,1H3
InChIKeyLPYWXILGENCBOE-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.84
Rot. Bonds

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

2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide (PubChem CID 60885517) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
PubChem CID60885517
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCC1CNC2CS(=O)(=O)CC2O1
InChIInChI=1S/C7H13NO3S/c1-5-2-8-6-3-12(9,10)4-7(6)11-5/h5-8H,2-4H2,1H3
InChIKeyLPYWXILGENCBOE-UHFFFAOYSA-N
XLogP-0.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide with MolForge

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Launch Full Analysis

Related Compounds

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CID 11871441
(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219310
(2R,4aS,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219314
2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 66179944
3-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 115277838
6,6-dioxo-4a,5,7,7a-tetrahydro-4H-thieno[3,4-e][1,2,4]oxadiazin-3-one
CID 43828220
9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 167727317
5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d][1,3]oxazol-2-one
CID 134811442
4'-ethylspiro[3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane] 6,6-dioxide
CID 65120641
(2S,6R)-2-cyclopropyl-6-methylmorpholine
CID 92547273
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide?
The IUPAC name of 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide (CID 60885517) is 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide.
What is the SMILES notation for 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide?
The canonical SMILES for 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide is CC1CNC2CS(=O)(=O)CC2O1.
What is the InChIKey of 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide?
The InChIKey is LPYWXILGENCBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5-2-8-6-3-12(9,10)4-7(6)11-5/h5-8H,2-4H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide?
2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide has a molecular weight of 191.25 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide is sourced from PubChem (CID 60885517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).