[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol

C17H24N2O2S — CID 86803041

IUPAC[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol
SMILESCCOC1CC(CO)(NCc2cnc3ccsc3c2)C1(C)C
InChIInChI=1S/C17H24N2O2S/c1-4-21-15-8-17(11-20,16(15,2)3)19-10-12-7-14-13(18-9-12)5-6-22-14/h5-7,9,15,19-20H,4,8,10-11H2,1-3H3
InChIKeyFHOPKSUPPAEYSK-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.95
Rot. Bonds6

About [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol

[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol (PubChem CID 86803041) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol
PubChem CID86803041
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol
SMILESCCOC1CC(CO)(NCc2cnc3ccsc3c2)C1(C)C
InChIInChI=1S/C17H24N2O2S/c1-4-21-15-8-17(11-20,16(15,2)3)19-10-12-7-14-13(18-9-12)5-6-22-14/h5-7,9,15,19-20H,4,8,10-11H2,1-3H3
InChIKeyFHOPKSUPPAEYSK-UHFFFAOYSA-N
XLogP2.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol?
The IUPAC name of [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol (CID 86803041) is [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol.
What is the SMILES notation for [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol?
The canonical SMILES for [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol is CCOC1CC(CO)(NCc2cnc3ccsc3c2)C1(C)C.
What is the InChIKey of [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol?
The InChIKey is FHOPKSUPPAEYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-21-15-8-17(11-20,16(15,2)3)19-10-12-7-14-13(18-9-12)5-6-22-14/h5-7,9,15,19-20H,4,8,10-11H2,1-3H3.
What are the key properties of [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol?
[3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol has a molecular weight of 320.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol is sourced from PubChem (CID 86803041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).