4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide

C11H19N5O3S — CID 106081839

IUPAC4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-12-8-9-4-6-16(7-5-9)20(18,19)15-10-2-3-11(17)14-13-10/h2-3,9,12H,4-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyVEHBHDKKHUGSHR-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.64
Rot. Bonds5

About 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide (PubChem CID 106081839) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
PubChem CID106081839
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H19N5O3S/c1-12-8-9-4-6-16(7-5-9)20(18,19)15-10-2-3-11(17)14-13-10/h2-3,9,12H,4-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyVEHBHDKKHUGSHR-UHFFFAOYSA-N
XLogP-0.64
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide (CID 106081839) is 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
The InChIKey is VEHBHDKKHUGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-12-8-9-4-6-16(7-5-9)20(18,19)15-10-2-3-11(17)14-13-10/h2-3,9,12H,4-8H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106081839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).