3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine

C12H16N2OS — CID 115765551

IUPAC3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-15-5-2-4-13-8-10-7-12-11(14-9-10)3-6-16-12/h3,6-7,9,13H,2,4-5,8H2,1H3
InChIKeyZTLUQFJVQPHQBV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.42
Rot. Bonds6

About 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine

3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine (PubChem CID 115765551) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
PubChem CID115765551
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-15-5-2-4-13-8-10-7-12-11(14-9-10)3-6-16-12/h3,6-7,9,13H,2,4-5,8H2,1H3
InChIKeyZTLUQFJVQPHQBV-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine (CID 115765551) is 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine is COCCCNCc1cnc2ccsc2c1.
What is the InChIKey of 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine?
The InChIKey is ZTLUQFJVQPHQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-15-5-2-4-13-8-10-7-12-11(14-9-10)3-6-16-12/h3,6-7,9,13H,2,4-5,8H2,1H3.
What are the key properties of 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine?
3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 115765551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).