3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine

C12H16N4O2S — CID 24749263

IUPAC3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H16N4O2S/c1-9-7-13-5-6-16(9)19(17,18)11-8-15-12-10(11)3-2-4-14-12/h2-4,8-9,13H,5-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZMXKPFZLBHHONM-SECBINFHSA-N
MW280.35 g/mol
LogP0.55
Rot. Bonds2

About 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine

3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24749263) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID24749263
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H16N4O2S/c1-9-7-13-5-6-16(9)19(17,18)11-8-15-12-10(11)3-2-4-14-12/h2-4,8-9,13H,5-7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZMXKPFZLBHHONM-SECBINFHSA-N
XLogP0.55
TPSA78.09 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine (CID 24749263) is 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine is C[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZMXKPFZLBHHONM-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-7-13-5-6-16(9)19(17,18)11-8-15-12-10(11)3-2-4-14-12/h2-4,8-9,13H,5-7H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine?
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24749263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).