2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

C12H24N2O4S — CID 104682900

IUPAC2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCC1CCN(S(=O)(=O)NCCCC(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-10-5-8-14(9-6-10)19(17,18)13-7-3-4-11(2)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJILMQYZHWKEXEM-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds7

About 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (PubChem CID 104682900) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
PubChem CID104682900
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCC1CCN(S(=O)(=O)NCCCC(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-10-5-8-14(9-6-10)19(17,18)13-7-3-4-11(2)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJILMQYZHWKEXEM-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic 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

2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (CID 104682900) is 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is CC1CCN(S(=O)(=O)NCCCC(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The InChIKey is JILMQYZHWKEXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10-5-8-14(9-6-10)19(17,18)13-7-3-4-11(2)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104682900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).