2-ethylsulfonyl-N,N-dimethylacetamide

C6H13NO3S — CID 58102305

IUPAC2-ethylsulfonyl-N,N-dimethylacetamide
SMILESCCS(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C6H13NO3S/c1-4-11(9,10)5-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyNNNQTKGMMAYZTO-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.49
Rot. Bonds3

About 2-ethylsulfonyl-N,N-dimethylacetamide

2-ethylsulfonyl-N,N-dimethylacetamide (PubChem CID 58102305) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethylsulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N,N-dimethylacetamide
PubChem CID58102305
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-ethylsulfonyl-N,N-dimethylacetamide
SMILESCCS(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C6H13NO3S/c1-4-11(9,10)5-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyNNNQTKGMMAYZTO-UHFFFAOYSA-N
XLogP-0.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-ethylsulfonyl-N,N-dimethylacetamide (CID 58102305) is 2-ethylsulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-ethylsulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-ethylsulfonyl-N,N-dimethylacetamide is CCS(=O)(=O)CC(=O)N(C)C.
What is the InChIKey of 2-ethylsulfonyl-N,N-dimethylacetamide?
The InChIKey is NNNQTKGMMAYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4-11(9,10)5-6(8)7(2)3/h4-5H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N,N-dimethylacetamide?
2-ethylsulfonyl-N,N-dimethylacetamide has a molecular weight of 179.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 58102305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).