(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide

C7H11NO2S — CID 157036828

IUPAC(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide
SMILESCC1=NO[C@]2(C)CS(=O)CC12
InChIInChI=1S/C7H11NO2S/c1-5-6-3-11(9)4-7(6,2)10-8-5/h6H,3-4H2,1-2H3/t6?,7-,11?/m1/s1
InChIKeyACUMLPTWXMXDST-UXEXPGAESA-N
MW173.24 g/mol
LogP0.53
Rot. Bonds

About (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide

(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide (PubChem CID 157036828) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide.

Molecular Properties

Compound Name(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide
PubChem CID157036828
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide
SMILESCC1=NO[C@]2(C)CS(=O)CC12
InChIInChI=1S/C7H11NO2S/c1-5-6-3-11(9)4-7(6,2)10-8-5/h6H,3-4H2,1-2H3/t6?,7-,11?/m1/s1
InChIKeyACUMLPTWXMXDST-UXEXPGAESA-N
XLogP0.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide?
The IUPAC name of (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide (CID 157036828) is (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide.
What is the SMILES notation for (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide?
The canonical SMILES for (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide is CC1=NO[C@]2(C)CS(=O)CC12.
What is the InChIKey of (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide?
The InChIKey is ACUMLPTWXMXDST-UXEXPGAESA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-6-3-11(9)4-7(6,2)10-8-5/h6H,3-4H2,1-2H3/t6?,7-,11?/m1/s1.
What are the key properties of (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide?
(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide has a molecular weight of 173.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide is sourced from PubChem (CID 157036828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).