1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid

C13H26N2O4S — CID 83143229

IUPAC1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(13(2,3)4)8-14-20(18,19)15-7-5-6-11(9-15)12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyZTPNSTDPFSAFKF-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.30
Rot. Bonds5

About 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid

1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 83143229) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID83143229
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(13(2,3)4)8-14-20(18,19)15-7-5-6-11(9-15)12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyZTPNSTDPFSAFKF-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid (CID 83143229) is 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid is CC(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)(C)C.
What is the InChIKey of 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZTPNSTDPFSAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(13(2,3)4)8-14-20(18,19)15-7-5-6-11(9-15)12(16)17/h10-11,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 306.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83143229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).