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

C12H16N4O2S — CID 61168849

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1
InChIInChI=1S/C12H16N4O2S/c13-9-3-2-6-16(8-9)19(17,18)11-7-15-12-10(11)4-1-5-14-12/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15)
InChIKeyKPWBMGMEHRTRBM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.67
Rot. Bonds2

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

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine (PubChem CID 61168849) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
PubChem CID61168849
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1
InChIInChI=1S/C12H16N4O2S/c13-9-3-2-6-16(8-9)19(17,18)11-7-15-12-10(11)4-1-5-14-12/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15)
InChIKeyKPWBMGMEHRTRBM-UHFFFAOYSA-N
XLogP0.67
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 128851562
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370984
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63030810
(3-aminocyclohexyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119745898
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidine-4-carbaldehyde
CID 63845027
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119988696

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine (CID 61168849) is 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine is NC1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine?
The InChIKey is KPWBMGMEHRTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-9-3-2-6-16(8-9)19(17,18)11-7-15-12-10(11)4-1-5-14-12/h1,4-5,7,9H,2-3,6,8,13H2,(H,14,15).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine?
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine has a molecular weight of 280.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 61168849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).