N-(3-methylsulfonylpropyl)propanamide

C7H15NO3S — CID 60859372

IUPACN-(3-methylsulfonylpropyl)propanamide
SMILESCCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-3-7(9)8-5-4-6-12(2,10)11/h3-6H2,1-2H3,(H,8,9)
InChIKeyXLVIIYACEHEIEJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.05
Rot. Bonds5

About N-(3-methylsulfonylpropyl)propanamide

N-(3-methylsulfonylpropyl)propanamide (PubChem CID 60859372) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)propanamide
PubChem CID60859372
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-(3-methylsulfonylpropyl)propanamide
SMILESCCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-3-7(9)8-5-4-6-12(2,10)11/h3-6H2,1-2H3,(H,8,9)
InChIKeyXLVIIYACEHEIEJ-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)propanamide?
The IUPAC name of N-(3-methylsulfonylpropyl)propanamide (CID 60859372) is N-(3-methylsulfonylpropyl)propanamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)propanamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)propanamide is CCC(=O)NCCCS(C)(=O)=O.
What is the InChIKey of N-(3-methylsulfonylpropyl)propanamide?
The InChIKey is XLVIIYACEHEIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-7(9)8-5-4-6-12(2,10)11/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(3-methylsulfonylpropyl)propanamide?
N-(3-methylsulfonylpropyl)propanamide has a molecular weight of 193.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 60859372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).