(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine

C12H15N3S — CID 62592284

IUPAC(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1nccc2sccc12
InChIInChI=1S/C12H15N3S/c13-8-9-2-1-6-15(9)12-10-4-7-16-11(10)3-5-14-12/h3-5,7,9H,1-2,6,8,13H2
InChIKeyXHSVTVGKLWDCGT-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.22
Rot. Bonds2

About (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine

(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine (PubChem CID 62592284) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
PubChem CID62592284
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1nccc2sccc12
InChIInChI=1S/C12H15N3S/c13-8-9-2-1-6-15(9)12-10-4-7-16-11(10)3-5-14-12/h3-5,7,9H,1-2,6,8,13H2
InChIKeyXHSVTVGKLWDCGT-UHFFFAOYSA-N
XLogP2.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.22
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-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine (CID 62592284) is (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine is NCC1CCCN1c1nccc2sccc12.
What is the InChIKey of (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine?
The InChIKey is XHSVTVGKLWDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-8-9-2-1-6-15(9)12-10-4-7-16-11(10)3-5-14-12/h3-5,7,9H,1-2,6,8,13H2.
What are the key properties of (1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine?
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.22, 2 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-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 62592284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).