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

C13H17N3S — CID 114695478

IUPACN-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC1NCCCC1Nc1nccc2sccc12
InChIInChI=1S/C13H17N3S/c1-9-11(3-2-6-14-9)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyBYTYQASWXJMTEC-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.85
Rot. Bonds2

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

N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 114695478) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID114695478
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC1NCCCC1Nc1nccc2sccc12
InChIInChI=1S/C13H17N3S/c1-9-11(3-2-6-14-9)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyBYTYQASWXJMTEC-UHFFFAOYSA-N
XLogP2.85
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine (CID 114695478) is N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine is CC1NCCCC1Nc1nccc2sccc12.
What is the InChIKey of N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is BYTYQASWXJMTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-11(3-2-6-14-9)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine?
N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 114695478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).