1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

C14H21ClN4O2S — CID 119965286

IUPAC1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-10(15)12-6-2-3-8-18(12)21(19,20)13-9-17-14-11(13)5-4-7-16-14;/h4-5,7,9-10,12H,2-3,6,8,15H2,1H3,(H,16,17);1H
InChIKeyQSJCZBAGNMSNFM-UHFFFAOYSA-N
MW344.87 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965286) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965286
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC Name1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-10(15)12-6-2-3-8-18(12)21(19,20)13-9-17-14-11(13)5-4-7-16-14;/h4-5,7,9-10,12H,2-3,6,8,15H2,1H3,(H,16,17);1H
InChIKeyQSJCZBAGNMSNFM-UHFFFAOYSA-N
XLogP1.88
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride with MolForge

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Related Compounds

[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119988696
(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
CID 125118643
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 115312562
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 128851562
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 61168849
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120999580
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (CID 119965286) is 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl.
What is the InChIKey of 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is QSJCZBAGNMSNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S.ClH/c1-10(15)12-6-2-3-8-18(12)21(19,20)13-9-17-14-11(13)5-4-7-16-14;/h4-5,7,9-10,12H,2-3,6,8,15H2,1H3,(H,16,17);1H.
What are the key properties of 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 344.87 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).