3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C17H19N3O2S2 — CID 118967681

IUPAC3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3nccc(-c4ccsc4)c23)CC1
InChIInChI=1S/C17H19N3O2S2/c1-24(21,22)20-7-3-12(4-8-20)15-10-19-17-16(15)14(2-6-18-17)13-5-9-23-11-13/h2,5-6,9-12H,3-4,7-8H2,1H3,(H,18,19)
InChIKeySBPZVIQLIHSFBM-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.43
Rot. Bonds3

About 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118967681) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID118967681
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3nccc(-c4ccsc4)c23)CC1
InChIInChI=1S/C17H19N3O2S2/c1-24(21,22)20-7-3-12(4-8-20)15-10-19-17-16(15)14(2-6-18-17)13-5-9-23-11-13/h2,5-6,9-12H,3-4,7-8H2,1H3,(H,18,19)
InChIKeySBPZVIQLIHSFBM-UHFFFAOYSA-N
XLogP3.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 118967681) is 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)N1CCC(c2c[nH]c3nccc(-c4ccsc4)c23)CC1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SBPZVIQLIHSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-24(21,22)20-7-3-12(4-8-20)15-10-19-17-16(15)14(2-6-18-17)13-5-9-23-11-13/h2,5-6,9-12H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 361.49 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118967681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).