1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine

C13H23N5O3S — CID 75494439

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine
SMILESCCN(C)S(=O)(=O)NC1CCCN(c2cc(C)nn2C)C1=O
InChIInChI=1S/C13H23N5O3S/c1-5-16(3)22(20,21)15-11-7-6-8-18(13(11)19)12-9-10(2)14-17(12)4/h9,11,15H,5-8H2,1-4H3
InChIKeyIDOBUXTVEZAFFC-UHFFFAOYSA-N
MW329.43 g/mol
LogP0.01
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine

1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine (PubChem CID 75494439) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine
PubChem CID75494439
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine
SMILESCCN(C)S(=O)(=O)NC1CCCN(c2cc(C)nn2C)C1=O
InChIInChI=1S/C13H23N5O3S/c1-5-16(3)22(20,21)15-11-7-6-8-18(13(11)19)12-9-10(2)14-17(12)4/h9,11,15H,5-8H2,1-4H3
InChIKeyIDOBUXTVEZAFFC-UHFFFAOYSA-N
XLogP0.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine (CID 75494439) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine is CCN(C)S(=O)(=O)NC1CCCN(c2cc(C)nn2C)C1=O.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine?
The InChIKey is IDOBUXTVEZAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-5-16(3)22(20,21)15-11-7-6-8-18(13(11)19)12-9-10(2)14-17(12)4/h9,11,15H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine?
1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine has a molecular weight of 329.43 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[ethyl(methyl)sulfamoyl]amino]-2-oxopiperidine is sourced from PubChem (CID 75494439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).