2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide

C11H23NO3S — CID 118669244

IUPAC2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide
SMILESCCCCC(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-5-6-7-11(2,3)10(13)12-8-9-16(4,14)15/h5-9H2,1-4H3,(H,12,13)
InChIKeyGJWBIMXGNSKOGT-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.36
Rot. Bonds7

About 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide

2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide (PubChem CID 118669244) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide
PubChem CID118669244
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide
SMILESCCCCC(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-5-6-7-11(2,3)10(13)12-8-9-16(4,14)15/h5-9H2,1-4H3,(H,12,13)
InChIKeyGJWBIMXGNSKOGT-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide (CID 118669244) is 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide is CCCCC(C)(C)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide?
The InChIKey is GJWBIMXGNSKOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-5-6-7-11(2,3)10(13)12-8-9-16(4,14)15/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide?
2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide has a molecular weight of 249.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide is sourced from PubChem (CID 118669244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).