2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile

C14H16N4S — CID 119037705

IUPAC2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESCC1(C)CCCC1Sc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C14H16N4S/c1-14(2)5-3-4-11(14)19-13-10(8-16)6-9(7-15)12(17)18-13/h6,11H,3-5H2,1-2H3,(H2,17,18)
InChIKeyGJJZOGJWKQSRLZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile

2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 119037705) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID119037705
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESCC1(C)CCCC1Sc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C14H16N4S/c1-14(2)5-3-4-11(14)19-13-10(8-16)6-9(7-15)12(17)18-13/h6,11H,3-5H2,1-2H3,(H2,17,18)
InChIKeyGJJZOGJWKQSRLZ-UHFFFAOYSA-N
XLogP3.08
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile (CID 119037705) is 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile is CC1(C)CCCC1Sc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is GJJZOGJWKQSRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-14(2)5-3-4-11(14)19-13-10(8-16)6-9(7-15)12(17)18-13/h6,11H,3-5H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 272.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2-dimethylcyclopentyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 119037705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).