2-ethylsulfonyl-2-methylpropanamide

C6H13NO3S — CID 3031124

IUPAC2-ethylsulfonyl-2-methylpropanamide
SMILESCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C6H13NO3S/c1-4-11(9,10)6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyBVZDKCBOCPHFAJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.31
Rot. Bonds3

About 2-ethylsulfonyl-2-methylpropanamide

2-ethylsulfonyl-2-methylpropanamide (PubChem CID 3031124) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-ethylsulfonyl-2-methylpropanamide
PubChem CID3031124
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-ethylsulfonyl-2-methylpropanamide
SMILESCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C6H13NO3S/c1-4-11(9,10)6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyBVZDKCBOCPHFAJ-UHFFFAOYSA-N
XLogP-0.31
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2-methylpropanamide?
The IUPAC name of 2-ethylsulfonyl-2-methylpropanamide (CID 3031124) is 2-ethylsulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-ethylsulfonyl-2-methylpropanamide?
The canonical SMILES for 2-ethylsulfonyl-2-methylpropanamide is CCS(=O)(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-ethylsulfonyl-2-methylpropanamide?
The InChIKey is BVZDKCBOCPHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4-11(9,10)6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8).
What are the key properties of 2-ethylsulfonyl-2-methylpropanamide?
2-ethylsulfonyl-2-methylpropanamide has a molecular weight of 179.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 3031124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).