N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

C12H16N2S — CID 115976225

IUPACN-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESc1nc2c(cc1NC1CCSC1)CCC2
InChIInChI=1S/C12H16N2S/c1-2-9-6-11(7-13-12(9)3-1)14-10-4-5-15-8-10/h6-7,10,14H,1-5,8H2
InChIKeyNXTQNJRSORYJIW-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.49
Rot. Bonds2

About N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (PubChem CID 115976225) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
PubChem CID115976225
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESc1nc2c(cc1NC1CCSC1)CCC2
InChIInChI=1S/C12H16N2S/c1-2-9-6-11(7-13-12(9)3-1)14-10-4-5-15-8-10/h6-7,10,14H,1-5,8H2
InChIKeyNXTQNJRSORYJIW-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The IUPAC name of N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (CID 115976225) is N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.
What is the SMILES notation for N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The canonical SMILES for N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is c1nc2c(cc1NC1CCSC1)CCC2.
What is the InChIKey of N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The InChIKey is NXTQNJRSORYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-9-6-11(7-13-12(9)3-1)14-10-4-5-15-8-10/h6-7,10,14H,1-5,8H2.
What are the key properties of N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine has a molecular weight of 220.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is sourced from PubChem (CID 115976225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).