5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide

C9H19NO4S — CID 79864355

IUPAC5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCN(CCS(C)(=O)=O)C(=O)CCCCO
InChIInChI=1S/C9H19NO4S/c1-10(6-8-15(2,13)14)9(12)5-3-4-7-11/h11H,3-8H2,1-2H3
InChIKeyCDHUXYSATBCNEV-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.35
Rot. Bonds7

About 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide

5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 79864355) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide
PubChem CID79864355
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCN(CCS(C)(=O)=O)C(=O)CCCCO
InChIInChI=1S/C9H19NO4S/c1-10(6-8-15(2,13)14)9(12)5-3-4-7-11/h11H,3-8H2,1-2H3
InChIKeyCDHUXYSATBCNEV-UHFFFAOYSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide (CID 79864355) is 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide is CN(CCS(C)(=O)=O)C(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is CDHUXYSATBCNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-10(6-8-15(2,13)14)9(12)5-3-4-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide?
5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 237.32 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 79864355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).