2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C13H26N2O4S — CID 65266306

IUPAC2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-13(4,5)12(2,3)11(16)17/h10,14H,6-9H2,1-5H3,(H,16,17)
InChIKeySIGYJHWBKLKBFG-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.44
Rot. Bonds5

About 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 65266306) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID65266306
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-13(4,5)12(2,3)11(16)17/h10,14H,6-9H2,1-5H3,(H,16,17)
InChIKeySIGYJHWBKLKBFG-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
CID 107868435
N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
CID 61262486
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 65266306) is 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCN(S(=O)(=O)NC(C)(C)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is SIGYJHWBKLKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-13(4,5)12(2,3)11(16)17/h10,14H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 306.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 65266306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).