4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C17H19N3O2S2 — CID 162749068

IUPAC4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)s1
InChIInChI=1S/C17H19N3O2S2/c1-12-2-3-16(23-12)24(21,22)20-10-6-13(7-11-20)14-4-8-18-17-15(14)5-9-19-17/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyFHKQXFZHBTVYAA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.50
Rot. Bonds3

About 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162749068) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID162749068
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)s1
InChIInChI=1S/C17H19N3O2S2/c1-12-2-3-16(23-12)24(21,22)20-10-6-13(7-11-20)14-4-8-18-17-15(14)5-9-19-17/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyFHKQXFZHBTVYAA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087664
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749012
4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 86265156
N-methyl-N-[(4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659122
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]propanenitrile
CID 175807836
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 119104587
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 129338621

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 162749068) is 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)N2CCC(c3ccnc4[nH]ccc34)CC2)s1.
What is the InChIKey of 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FHKQXFZHBTVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-12-2-3-16(23-12)24(21,22)20-10-6-13(7-11-20)14-4-8-18-17-15(14)5-9-19-17/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 361.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162749068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).