2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid

C10H20N2O5S — CID 66174633

IUPAC2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCN(S(=O)(=O)NCC(C)(O)C(=O)O)CC1
InChIInChI=1S/C10H20N2O5S/c1-8-3-5-12(6-4-8)18(16,17)11-7-10(2,15)9(13)14/h8,11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGFYCRHSCRRPXJL-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.61
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid

2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 66174633) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID66174633
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCN(S(=O)(=O)NCC(C)(O)C(=O)O)CC1
InChIInChI=1S/C10H20N2O5S/c1-8-3-5-12(6-4-8)18(16,17)11-7-10(2,15)9(13)14/h8,11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGFYCRHSCRRPXJL-UHFFFAOYSA-N
XLogP-0.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic 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

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 65266306
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 66174633) is 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid is CC1CCN(S(=O)(=O)NCC(C)(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is GFYCRHSCRRPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-8-3-5-12(6-4-8)18(16,17)11-7-10(2,15)9(13)14/h8,11,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 66174633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).