[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine

C13H20N2S — CID 43530847

IUPAC[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCc2sccc2C1
InChIInChI=1S/C13H20N2S/c14-8-10-2-1-3-12(10)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12H,1-4,6,8-9,14H2
InChIKeyPISNHVQBBOVEQT-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.23
Rot. Bonds2

About [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine (PubChem CID 43530847) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
PubChem CID43530847
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCc2sccc2C1
InChIInChI=1S/C13H20N2S/c14-8-10-2-1-3-12(10)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12H,1-4,6,8-9,14H2
InChIKeyPISNHVQBBOVEQT-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine (CID 43530847) is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine is NCC1CCCC1N1CCc2sccc2C1.
What is the InChIKey of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine?
The InChIKey is PISNHVQBBOVEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-8-10-2-1-3-12(10)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12H,1-4,6,8-9,14H2.
What are the key properties of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine?
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine has a molecular weight of 236.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 43530847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).