N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine

C16H22N2OS — CID 82760789

IUPACN-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESCCC1(CC)CC(Nc2nccc3sccc23)CCO1
InChIInChI=1S/C16H22N2OS/c1-3-16(4-2)11-12(6-9-19-16)18-15-13-7-10-20-14(13)5-8-17-15/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,18)
InChIKeyKAXCXBLMCAOQBP-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.45
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine

N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 82760789) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID82760789
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESCCC1(CC)CC(Nc2nccc3sccc23)CCO1
InChIInChI=1S/C16H22N2OS/c1-3-16(4-2)11-12(6-9-19-16)18-15-13-7-10-20-14(13)5-8-17-15/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,18)
InChIKeyKAXCXBLMCAOQBP-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine (CID 82760789) is N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine is CCC1(CC)CC(Nc2nccc3sccc23)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is KAXCXBLMCAOQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-16(4-2)11-12(6-9-19-16)18-15-13-7-10-20-14(13)5-8-17-15/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine?
N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 82760789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).