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

C7H11NOS — CID 157036799

IUPAC(6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole
SMILESCC1=NO[C@]2(C)SCCC12
InChIInChI=1S/C7H11NOS/c1-5-6-3-4-10-7(6,2)9-8-5/h6H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeySAZTVFNUKPKJIN-COBSHVIPSA-N
MW157.24 g/mol
LogP1.86
Rot. Bonds

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

(6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole (PubChem CID 157036799) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name(6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole
PubChem CID157036799
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole
SMILESCC1=NO[C@]2(C)SCCC12
InChIInChI=1S/C7H11NOS/c1-5-6-3-4-10-7(6,2)9-8-5/h6H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeySAZTVFNUKPKJIN-COBSHVIPSA-N
XLogP1.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3H,6H)Thieno[3,4-c]isoxazole, 3a,4-dihydro-6-methyl-
CID 588722
4-(Ethylsulfanylmethyl)-3,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 156280067
(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole
CID 157036805
(6aS)-3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide
CID 157036828
3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole
CID 169870371
3,6a-dimethyl-4,6-dihydro-3aH-thieno[3,4-d][1,2]oxazole 5-oxide
CID 169870388
3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole
CID 169870394
6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole
CID 14715118

Frequently Asked Questions

What is the IUPAC name of (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole?
The IUPAC name of (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole (CID 157036799) is (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole.
What is the SMILES notation for (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole?
The canonical SMILES for (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole is CC1=NO[C@]2(C)SCCC12.
What is the InChIKey of (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole?
The InChIKey is SAZTVFNUKPKJIN-COBSHVIPSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-6-3-4-10-7(6,2)9-8-5/h6H,3-4H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole?
(6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole has a molecular weight of 157.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3,6a-dimethyl-4,5-dihydro-3aH-thieno[3,2-d][1,2]oxazole is sourced from PubChem (CID 157036799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).