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

C13H18N4O2S — CID 115312562

IUPAC2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O2S/c1-9-7-10(14)4-6-17(9)20(18,19)12-8-16-13-11(12)3-2-5-15-13/h2-3,5,8-10H,4,6-7,14H2,1H3,(H,15,16)
InChIKeySLFGKCKKCIAEOJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.06
Rot. Bonds2

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

2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (PubChem CID 115312562) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
PubChem CID115312562
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O2S/c1-9-7-10(14)4-6-17(9)20(18,19)12-8-16-13-11(12)3-2-5-15-13/h2-3,5,8-10H,4,6-7,14H2,1H3,(H,15,16)
InChIKeySLFGKCKKCIAEOJ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
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)piperidin-3-amine
CID 61168849
3-(2,6-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63909044
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119988696
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965286
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
(4-methylphenyl)-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 24749583
[(3S)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 73346059
(3-aminocyclohexyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119745898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (CID 115312562) is 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The InChIKey is SLFGKCKKCIAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-7-10(14)4-6-17(9)20(18,19)12-8-16-13-11(12)3-2-5-15-13/h2-3,5,8-10H,4,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine has a molecular weight of 294.38 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 115312562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).