2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide

C12H22N4O3S — CID 56757142

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H22N4O3S/c1-9-8-10(2)16(14-9)11(3)12(17)13-6-7-20(18,19)15(4)5/h8,11H,6-7H2,1-5H3,(H,13,17)
InChIKeyVLBJZIBTXZSAAW-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.07
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide (PubChem CID 56757142) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
PubChem CID56757142
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H22N4O3S/c1-9-8-10(2)16(14-9)11(3)12(17)13-6-7-20(18,19)15(4)5/h8,11H,6-7H2,1-5H3,(H,13,17)
InChIKeyVLBJZIBTXZSAAW-UHFFFAOYSA-N
XLogP0.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide (CID 56757142) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide is Cc1cc(C)n(C(C)C(=O)NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The InChIKey is VLBJZIBTXZSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-8-10(2)16(14-9)11(3)12(17)13-6-7-20(18,19)15(4)5/h8,11H,6-7H2,1-5H3,(H,13,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide has a molecular weight of 302.40 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 56757142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).