3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

C13H18N4O2S — CID 79867718

IUPAC3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCC1N
InChIInChI=1S/C13H18N4O2S/c1-9-8-17(6-4-11(9)14)20(18,19)12-7-16-13-10(12)3-2-5-15-13/h2-3,5,7,9,11H,4,6,8,14H2,1H3,(H,15,16)
InChIKeyLKPBWNINMMMGHT-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.92
Rot. Bonds2

About 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (PubChem CID 79867718) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
PubChem CID79867718
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCC1N
InChIInChI=1S/C13H18N4O2S/c1-9-8-17(6-4-11(9)14)20(18,19)12-7-16-13-10(12)3-2-5-15-13/h2-3,5,7,9,11H,4,6,8,14H2,1H3,(H,15,16)
InChIKeyLKPBWNINMMMGHT-UHFFFAOYSA-N
XLogP0.92
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 61168849
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63030810
3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 128851562
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370984
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
2-methyl-7-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1,4-oxazepane
CID 167860161
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidine-4-carbaldehyde
CID 63845027
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 115312562
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (CID 79867718) is 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is CC1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCC1N.
What is the InChIKey of 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The InChIKey is LKPBWNINMMMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-8-17(6-4-11(9)14)20(18,19)12-7-16-13-10(12)3-2-5-15-13/h2-3,5,7,9,11H,4,6,8,14H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine has a molecular weight of 294.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 79867718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).