2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide

C11H19N3O3S — CID 47270153

IUPAC2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19N3O3S/c1-7-9(8(2)14(6)12-7)18(16,17)13-10(15)11(3,4)5/h1-6H3,(H,13,15)
InChIKeyYRKIQWVLTWAGBA-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.89
Rot. Bonds2

About 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide

2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide (PubChem CID 47270153) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
PubChem CID47270153
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19N3O3S/c1-7-9(8(2)14(6)12-7)18(16,17)13-10(15)11(3,4)5/h1-6H3,(H,13,15)
InChIKeyYRKIQWVLTWAGBA-UHFFFAOYSA-N
XLogP0.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43468132
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 109379653
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
N-(1-chloro-2-methylbutan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65032716
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
2-[tert-butyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetic acid
CID 79268547
N-[(2R)-2-hydroxy-2-phenylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97065266
methyl 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoate
CID 43408373
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide (CID 47270153) is 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The InChIKey is YRKIQWVLTWAGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7-9(8(2)14(6)12-7)18(16,17)13-10(15)11(3,4)5/h1-6H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide has a molecular weight of 273.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide is sourced from PubChem (CID 47270153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).