2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid

C9H18N2O4S — CID 61262486

IUPAC2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESCC(C)(NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-9(2,8(12)13)10-16(14,15)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyDWQIVOBJPUWOQS-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.17
Rot. Bonds4

About 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid

2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid (PubChem CID 61262486) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
PubChem CID61262486
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESCC(C)(NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-9(2,8(12)13)10-16(14,15)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyDWQIVOBJPUWOQS-UHFFFAOYSA-N
XLogP0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(piperidin-1-ylsulfonylamino)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

2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62488191
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
CID 107848008
N-(2-cyanopropan-2-yl)azepane-1-sulfonamide
CID 61125739
N-piperidin-1-ylsulfonylacetamide
CID 59405916
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
2-[4-(tert-butylsulfamoyl)-1,4-diazepan-1-yl]acetic acid
CID 114805953
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 65266306
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid (CID 61262486) is 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid is CC(C)(NS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is DWQIVOBJPUWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-9(2,8(12)13)10-16(14,15)11-6-4-3-5-7-11/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid?
2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 61262486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).