2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide

C9H16N4O3S — CID 47267411

IUPAC2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-4-13(7-9(14)12(2)3)17(15,16)8-5-10-11-6-8/h5-6H,4,7H2,1-3H3,(H,10,11)
InChIKeyLLSSPOJPCNZSDW-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.49
Rot. Bonds5

About 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide

2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide (PubChem CID 47267411) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
PubChem CID47267411
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-4-13(7-9(14)12(2)3)17(15,16)8-5-10-11-6-8/h5-6H,4,7H2,1-3H3,(H,10,11)
InChIKeyLLSSPOJPCNZSDW-UHFFFAOYSA-N
XLogP-0.49
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide (CID 47267411) is 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
The InChIKey is LLSSPOJPCNZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-4-13(7-9(14)12(2)3)17(15,16)8-5-10-11-6-8/h5-6H,4,7H2,1-3H3,(H,10,11).
What are the key properties of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide?
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide has a molecular weight of 260.32 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 47267411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).