5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid

C11H21NO4S — CID 28704901

IUPAC5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
SMILESCC1CCN(S(=O)(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-10-5-7-12(8-6-10)17(15,16)9-3-2-4-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyXHHHGQHWJAALOI-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds6

About 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid

5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid (PubChem CID 28704901) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
PubChem CID28704901
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
SMILESCC1CCN(S(=O)(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-10-5-7-12(8-6-10)17(15,16)9-3-2-4-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyXHHHGQHWJAALOI-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylpentanoic acid
CID 117098067
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
bis[2-(4-methylpiperidin-1-yl)sulfonylethylamino] oxalate
CID 170922093
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
4-(4-methoxycarbonylpiperazin-1-yl)sulfonylbutanoic acid
CID 54916113

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid (CID 28704901) is 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid is CC1CCN(S(=O)(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid?
The InChIKey is XHHHGQHWJAALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-10-5-7-12(8-6-10)17(15,16)9-3-2-4-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid?
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid is sourced from PubChem (CID 28704901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).