4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C22H21N3O2S3 — CID 122624276

IUPAC4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H21N3O2S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)24-21(19)29-22(20)30(26,27)25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2
InChIKeyPQJZUTSXGHUFDT-UHFFFAOYSA-N
MW455.63 g/mol
LogP5.45
Rot. Bonds4

About 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 122624276) has the molecular formula C22H21N3O2S3 and a molecular weight of 455.63 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID122624276
Molecular FormulaC22H21N3O2S3
Molecular Weight455.63 g/mol
Exact Mass455.08
IUPAC Name4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H21N3O2S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)24-21(19)29-22(20)30(26,27)25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2
InChIKeyPQJZUTSXGHUFDT-UHFFFAOYSA-N
XLogP5.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 122624276) is 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is Nc1c(S(=O)(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is PQJZUTSXGHUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)24-21(19)29-22(20)30(26,27)25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2.
What are the key properties of 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 455.63 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 122624276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).