N-methyl-N-(3-methylsulfonylpropyl)acetamide

C7H15NO3S — CID 23402949

IUPACN-methyl-N-(3-methylsulfonylpropyl)acetamide
SMILESCC(=O)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(9)8(2)5-4-6-12(3,10)11/h4-6H2,1-3H3
InChIKeyDLGYXTYOXAQWEB-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.10
Rot. Bonds4

About N-methyl-N-(3-methylsulfonylpropyl)acetamide

N-methyl-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 23402949) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-methyl-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylsulfonylpropyl)acetamide
PubChem CID23402949
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-methyl-N-(3-methylsulfonylpropyl)acetamide
SMILESCC(=O)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(9)8(2)5-4-6-12(3,10)11/h4-6H2,1-3H3
InChIKeyDLGYXTYOXAQWEB-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of N-methyl-N-(3-methylsulfonylpropyl)acetamide (CID 23402949) is N-methyl-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for N-methyl-N-(3-methylsulfonylpropyl)acetamide is CC(=O)N(C)CCCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is DLGYXTYOXAQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(9)8(2)5-4-6-12(3,10)11/h4-6H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylsulfonylpropyl)acetamide?
N-methyl-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 193.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 23402949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).