8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine

C13H19NOS — CID 66351225

IUPAC8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2ccsc2)C2CCCOC21
InChIInChI=1S/C13H19NOS/c1-13(2)11(14-9-5-7-16-8-9)10-4-3-6-15-12(10)13/h5,7-8,10-12,14H,3-4,6H2,1-2H3
InChIKeyDSSHSKYWXKBHJZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.36
Rot. Bonds2

About 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 66351225) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID66351225
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2ccsc2)C2CCCOC21
InChIInChI=1S/C13H19NOS/c1-13(2)11(14-9-5-7-16-8-9)10-4-3-6-15-12(10)13/h5,7-8,10-12,14H,3-4,6H2,1-2H3
InChIKeyDSSHSKYWXKBHJZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine (CID 66351225) is 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(Nc2ccsc2)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is DSSHSKYWXKBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2)11(14-9-5-7-16-8-9)10-4-3-6-15-12(10)13/h5,7-8,10-12,14H,3-4,6H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 237.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-thiophen-3-yl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 66351225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).