N-(4-methylsulfonylbutyl)pentanamide

C10H21NO3S — CID 23563447

IUPACN-(4-methylsulfonylbutyl)pentanamide
SMILESCCCCC(=O)NCCCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-4-7-10(12)11-8-5-6-9-15(2,13)14/h3-9H2,1-2H3,(H,11,12)
InChIKeyJUFHVLHLYZOXQG-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.12
Rot. Bonds8

About N-(4-methylsulfonylbutyl)pentanamide

N-(4-methylsulfonylbutyl)pentanamide (PubChem CID 23563447) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(4-methylsulfonylbutyl)pentanamide.

Molecular Properties

Compound NameN-(4-methylsulfonylbutyl)pentanamide
PubChem CID23563447
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(4-methylsulfonylbutyl)pentanamide
SMILESCCCCC(=O)NCCCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-4-7-10(12)11-8-5-6-9-15(2,13)14/h3-9H2,1-2H3,(H,11,12)
InChIKeyJUFHVLHLYZOXQG-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.12
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-(4-methylsulfonylbutyl)pentanamide?
The IUPAC name of N-(4-methylsulfonylbutyl)pentanamide (CID 23563447) is N-(4-methylsulfonylbutyl)pentanamide.
What is the SMILES notation for N-(4-methylsulfonylbutyl)pentanamide?
The canonical SMILES for N-(4-methylsulfonylbutyl)pentanamide is CCCCC(=O)NCCCCS(C)(=O)=O.
What is the InChIKey of N-(4-methylsulfonylbutyl)pentanamide?
The InChIKey is JUFHVLHLYZOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-7-10(12)11-8-5-6-9-15(2,13)14/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-(4-methylsulfonylbutyl)pentanamide?
N-(4-methylsulfonylbutyl)pentanamide has a molecular weight of 235.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylbutyl)pentanamide is sourced from PubChem (CID 23563447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).