3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine

C13H19N3O2S — CID 65324950

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
SMILESNc1ccncc1S(=O)(=O)N1CCCC2CCCC21
InChIInChI=1S/C13H19N3O2S/c14-11-6-7-15-9-13(11)19(17,18)16-8-2-4-10-3-1-5-12(10)16/h6-7,9-10,12H,1-5,8H2,(H2,14,15)
InChIKeyKVUFWTNZMCVDAK-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.62
Rot. Bonds2

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine (PubChem CID 65324950) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
PubChem CID65324950
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
SMILESNc1ccncc1S(=O)(=O)N1CCCC2CCCC21
InChIInChI=1S/C13H19N3O2S/c14-11-6-7-15-9-13(11)19(17,18)16-8-2-4-10-3-1-5-12(10)16/h6-7,9-10,12H,1-5,8H2,(H2,14,15)
InChIKeyKVUFWTNZMCVDAK-UHFFFAOYSA-N
XLogP1.62
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine (CID 65324950) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine is Nc1ccncc1S(=O)(=O)N1CCCC2CCCC21.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine?
The InChIKey is KVUFWTNZMCVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-11-6-7-15-9-13(11)19(17,18)16-8-2-4-10-3-1-5-12(10)16/h6-7,9-10,12H,1-5,8H2,(H2,14,15).
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine is sourced from PubChem (CID 65324950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).