2-methyl-N-methylsulfonylbutanamide

C6H13NO3S — CID 18336288

IUPAC2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4-5(2)6(8)7-11(3,9)10/h5H,4H2,1-3H3,(H,7,8)
InChIKeyFXZHRICSIMZBSC-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.11
Rot. Bonds3

About 2-methyl-N-methylsulfonylbutanamide

2-methyl-N-methylsulfonylbutanamide (PubChem CID 18336288) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-methyl-N-methylsulfonylbutanamide
PubChem CID18336288
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4-5(2)6(8)7-11(3,9)10/h5H,4H2,1-3H3,(H,7,8)
InChIKeyFXZHRICSIMZBSC-UHFFFAOYSA-N
XLogP0.11
TPSA63.24 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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-methyl-N-methylsulfonylbutanamide (CID 18336288) is 2-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-methyl-N-methylsulfonylbutanamide is CCC(C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-methylsulfonylbutanamide?
The InChIKey is FXZHRICSIMZBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4-5(2)6(8)7-11(3,9)10/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-methyl-N-methylsulfonylbutanamide?
2-methyl-N-methylsulfonylbutanamide has a molecular weight of 179.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 18336288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).