2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid

C13H26N2O4S — CID 83198043

IUPAC2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H26N2O4S/c1-5-14(6-2)20(18,19)15-9-7-8-11(10-15)13(3,4)12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyITPCPQMBMDRJAW-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.40
Rot. Bonds6

About 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198043) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198043
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H26N2O4S/c1-5-14(6-2)20(18,19)15-9-7-8-11(10-15)13(3,4)12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyITPCPQMBMDRJAW-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid
CID 83198833
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
2-methyl-2-(1-prop-2-enylsulfonylpiperidin-3-yl)propanoic acid
CID 83197883
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-[1-(benzenesulfonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198963
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
CID 115917661
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 79031251
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83198043) is 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid is CCN(CC)S(=O)(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is ITPCPQMBMDRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-5-14(6-2)20(18,19)15-9-7-8-11(10-15)13(3,4)12(16)17/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 306.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).