N-methyl-N-methylsulfonylbutanamide

C6H13NO3S — CID 45377181

IUPACN-methyl-N-methylsulfonylbutanamide
SMILESCCCC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4-5-6(8)7(2)11(3,9)10/h4-5H2,1-3H3
InChIKeyCZTIVTXUGUJGJR-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.20
Rot. Bonds3

About N-methyl-N-methylsulfonylbutanamide

N-methyl-N-methylsulfonylbutanamide (PubChem CID 45377181) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonylbutanamide
PubChem CID45377181
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-methyl-N-methylsulfonylbutanamide
SMILESCCCC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-4-5-6(8)7(2)11(3,9)10/h4-5H2,1-3H3
InChIKeyCZTIVTXUGUJGJR-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonylbutanamide?
The IUPAC name of N-methyl-N-methylsulfonylbutanamide (CID 45377181) is N-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for N-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for N-methyl-N-methylsulfonylbutanamide is CCCC(=O)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonylbutanamide?
The InChIKey is CZTIVTXUGUJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4-5-6(8)7(2)11(3,9)10/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-methylsulfonylbutanamide?
N-methyl-N-methylsulfonylbutanamide has a molecular weight of 179.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 45377181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).