4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C13H14N2S — CID 65046699

IUPAC4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCC1CCc2sc(N)c(-c3ccccn3)c21
InChIInChI=1S/C13H14N2S/c1-8-5-6-10-11(8)12(13(14)16-10)9-4-2-3-7-15-9/h2-4,7-8H,5-6,14H2,1H3
InChIKeyALEDAPSTUKXTGW-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.44
Rot. Bonds1

About 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 65046699) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID65046699
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCC1CCc2sc(N)c(-c3ccccn3)c21
InChIInChI=1S/C13H14N2S/c1-8-5-6-10-11(8)12(13(14)16-10)9-4-2-3-7-15-9/h2-4,7-8H,5-6,14H2,1H3
InChIKeyALEDAPSTUKXTGW-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 65046699) is 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is CC1CCc2sc(N)c(-c3ccccn3)c21.
What is the InChIKey of 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is ALEDAPSTUKXTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-5-6-10-11(8)12(13(14)16-10)9-4-2-3-7-15-9/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 65046699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).