2-methoxy-N-methylsulfonylbutanamide

C6H13NO4S — CID 122588121

IUPAC2-methoxy-N-methylsulfonylbutanamide
SMILESCCC(OC)C(=O)NS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-4-5(11-2)6(8)7-12(3,9)10/h5H,4H2,1-3H3,(H,7,8)
InChIKeyZLNXEXAZCRSGNB-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds4

About 2-methoxy-N-methylsulfonylbutanamide

2-methoxy-N-methylsulfonylbutanamide (PubChem CID 122588121) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-methoxy-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-methoxy-N-methylsulfonylbutanamide
PubChem CID122588121
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-methoxy-N-methylsulfonylbutanamide
SMILESCCC(OC)C(=O)NS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-4-5(11-2)6(8)7-12(3,9)10/h5H,4H2,1-3H3,(H,7,8)
InChIKeyZLNXEXAZCRSGNB-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylsulfonylbutanamide?
The IUPAC name of 2-methoxy-N-methylsulfonylbutanamide (CID 122588121) is 2-methoxy-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-methoxy-N-methylsulfonylbutanamide?
The canonical SMILES for 2-methoxy-N-methylsulfonylbutanamide is CCC(OC)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-methylsulfonylbutanamide?
The InChIKey is ZLNXEXAZCRSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4-5(11-2)6(8)7-12(3,9)10/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-methoxy-N-methylsulfonylbutanamide?
2-methoxy-N-methylsulfonylbutanamide has a molecular weight of 195.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylsulfonylbutanamide is sourced from PubChem (CID 122588121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).