5-ethylsulfonyl-N-propylpentanamide

C10H21NO3S — CID 90392095

IUPAC5-ethylsulfonyl-N-propylpentanamide
SMILESCCCNC(=O)CCCCS(=O)(=O)CC
InChIInChI=1S/C10H21NO3S/c1-3-8-11-10(12)7-5-6-9-15(13,14)4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyBLJJBHNXAACIBI-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.12
Rot. Bonds8

About 5-ethylsulfonyl-N-propylpentanamide

5-ethylsulfonyl-N-propylpentanamide (PubChem CID 90392095) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-propylpentanamide.

Molecular Properties

Compound Name5-ethylsulfonyl-N-propylpentanamide
PubChem CID90392095
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name5-ethylsulfonyl-N-propylpentanamide
SMILESCCCNC(=O)CCCCS(=O)(=O)CC
InChIInChI=1S/C10H21NO3S/c1-3-8-11-10(12)7-5-6-9-15(13,14)4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyBLJJBHNXAACIBI-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 5-ethylsulfonyl-N-propylpentanamide?
The IUPAC name of 5-ethylsulfonyl-N-propylpentanamide (CID 90392095) is 5-ethylsulfonyl-N-propylpentanamide.
What is the SMILES notation for 5-ethylsulfonyl-N-propylpentanamide?
The canonical SMILES for 5-ethylsulfonyl-N-propylpentanamide is CCCNC(=O)CCCCS(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonyl-N-propylpentanamide?
The InChIKey is BLJJBHNXAACIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-8-11-10(12)7-5-6-9-15(13,14)4-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of 5-ethylsulfonyl-N-propylpentanamide?
5-ethylsulfonyl-N-propylpentanamide 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 5-ethylsulfonyl-N-propylpentanamide is sourced from PubChem (CID 90392095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).