N-butyl-N-methylsulfonylacetamide

C7H15NO3S — CID 45377177

IUPACN-butyl-N-methylsulfonylacetamide
SMILESCCCCN(C(C)=O)S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-4-5-6-8(7(2)9)12(3,10)11/h4-6H2,1-3H3
InChIKeyOSUPSOUNPZCTPL-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.59
Rot. Bonds4

About N-butyl-N-methylsulfonylacetamide

N-butyl-N-methylsulfonylacetamide (PubChem CID 45377177) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-butyl-N-methylsulfonylacetamide.

Molecular Properties

Compound NameN-butyl-N-methylsulfonylacetamide
PubChem CID45377177
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-butyl-N-methylsulfonylacetamide
SMILESCCCCN(C(C)=O)S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-4-5-6-8(7(2)9)12(3,10)11/h4-6H2,1-3H3
InChIKeyOSUPSOUNPZCTPL-UHFFFAOYSA-N
XLogP0.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylsulfonyl-N-(2-sulfanylethyl)acetamide
CID 154588785
N-(methylsulfanylmethyl)-N-methylsulfonylacetamide
CID 157132477
N-butyl-N-iodoacetamide
CID 18767604
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-butyl-N-methylacetamide;ethane
CID 142088805
N-(3-bromopropyl)-N-butylmethanesulfonamide
CID 138921783
N-(4-bromophenyl)sulfonyl-N-pentylacetamide
CID 146458811
N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride
CID 167595475
2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
N-butyl-N-heptylacetamide
CID 91713167
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-butyl-5-iodo-N-methylsulfonyl-2-phenylpentanamide
CID 14968947

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylsulfonylacetamide?
The IUPAC name of N-butyl-N-methylsulfonylacetamide (CID 45377177) is N-butyl-N-methylsulfonylacetamide.
What is the SMILES notation for N-butyl-N-methylsulfonylacetamide?
The canonical SMILES for N-butyl-N-methylsulfonylacetamide is CCCCN(C(C)=O)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methylsulfonylacetamide?
The InChIKey is OSUPSOUNPZCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-4-5-6-8(7(2)9)12(3,10)11/h4-6H2,1-3H3.
What are the key properties of N-butyl-N-methylsulfonylacetamide?
N-butyl-N-methylsulfonylacetamide has a molecular weight of 193.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylsulfonylacetamide is sourced from PubChem (CID 45377177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).