1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine

C13H16N2OS — CID 64574177

IUPAC1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine
SMILESNC1(COc2nccc3sccc23)CCCC1
InChIInChI=1S/C13H16N2OS/c14-13(5-1-2-6-13)9-16-12-10-4-8-17-11(10)3-7-15-12/h3-4,7-8H,1-2,5-6,9,14H2
InChIKeyPBOGQOWAZOTCLP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.95
Rot. Bonds3

About 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine

1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine (PubChem CID 64574177) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine
PubChem CID64574177
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine
SMILESNC1(COc2nccc3sccc23)CCCC1
InChIInChI=1S/C13H16N2OS/c14-13(5-1-2-6-13)9-16-12-10-4-8-17-11(10)3-7-15-12/h3-4,7-8H,1-2,5-6,9,14H2
InChIKeyPBOGQOWAZOTCLP-UHFFFAOYSA-N
XLogP2.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine (CID 64574177) is 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine is NC1(COc2nccc3sccc23)CCCC1.
What is the InChIKey of 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine?
The InChIKey is PBOGQOWAZOTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-13(5-1-2-6-13)9-16-12-10-4-8-17-11(10)3-7-15-12/h3-4,7-8H,1-2,5-6,9,14H2.
What are the key properties of 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine?
1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[3,2-c]pyridin-4-yloxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 64574177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).