N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H22N4O2S — CID 56913380

IUPACN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)11-10-19-8-5-13(6-9-19)17-14-3-2-12-4-7-16-15(12)18-14/h2-4,7,13H,5-6,8-11H2,1H3,(H2,16,17,18)
InChIKeyZITDKMVTHAAQOJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.48
Rot. Bonds5

About N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56913380) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56913380
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)11-10-19-8-5-13(6-9-19)17-14-3-2-12-4-7-16-15(12)18-14/h2-4,7,13H,5-6,8-11H2,1H3,(H2,16,17,18)
InChIKeyZITDKMVTHAAQOJ-UHFFFAOYSA-N
XLogP1.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56913380) is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CS(=O)(=O)CCN1CCC(Nc2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZITDKMVTHAAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22(20,21)11-10-19-8-5-13(6-9-19)17-14-3-2-12-4-7-16-15(12)18-14/h2-4,7,13H,5-6,8-11H2,1H3,(H2,16,17,18).
What are the key properties of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 322.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56913380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).