4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine

C13H23N5O3S — CID 70768852

IUPAC4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
SMILESCCN(C)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C13H23N5O3S/c1-4-16(2)22(20,21)15-8-11-5-6-18(10-11)12-7-13(19)17(3)14-9-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeySHXWCDMVPCWGIR-UHFFFAOYSA-N
MW329.43 g/mol
LogP-0.61
Rot. Bonds6

About 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine

4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine (PubChem CID 70768852) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine.

Molecular Properties

Compound Name4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
PubChem CID70768852
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
SMILESCCN(C)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C13H23N5O3S/c1-4-16(2)22(20,21)15-8-11-5-6-18(10-11)12-7-13(19)17(3)14-9-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeySHXWCDMVPCWGIR-UHFFFAOYSA-N
XLogP-0.61
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The IUPAC name of 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine (CID 70768852) is 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine.
What is the SMILES notation for 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The canonical SMILES for 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine is CCN(C)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The InChIKey is SHXWCDMVPCWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-4-16(2)22(20,21)15-8-11-5-6-18(10-11)12-7-13(19)17(3)14-9-12/h7,9,11,15H,4-6,8,10H2,1-3H3.
What are the key properties of 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine has a molecular weight of 329.43 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine is sourced from PubChem (CID 70768852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).