7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

C17H22N2OS — CID 75428335

IUPAC7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(NC1C2CCOC2C1(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C17H22N2OS/c1-10(11-8-14-13(18-9-11)5-7-21-14)19-15-12-4-6-20-16(12)17(15,2)3/h5,7-10,12,15-16,19H,4,6H2,1-3H3
InChIKeyCFGSVLUNCTZOHA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.76
Rot. Bonds3

About 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 75428335) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID75428335
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(NC1C2CCOC2C1(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C17H22N2OS/c1-10(11-8-14-13(18-9-11)5-7-21-14)19-15-12-4-6-20-16(12)17(15,2)3/h5,7-10,12,15-16,19H,4,6H2,1-3H3
InChIKeyCFGSVLUNCTZOHA-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 75428335) is 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC(NC1C2CCOC2C1(C)C)c1cnc2ccsc2c1.
What is the InChIKey of 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is CFGSVLUNCTZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10(11-8-14-13(18-9-11)5-7-21-14)19-15-12-4-6-20-16(12)17(15,2)3/h5,7-10,12,15-16,19H,4,6H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 302.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 75428335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).