1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid

C12H24N2O4S — CID 113227859

IUPAC1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)(C)CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)6-7-13-19(17,18)14-8-4-5-10(9-14)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyIVKLTQNQMHDDSR-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds5

About 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid

1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 113227859) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID113227859
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(C)(C)CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)6-7-13-19(17,18)14-8-4-5-10(9-14)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyIVKLTQNQMHDDSR-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid (CID 113227859) is 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid is CC(C)(C)CCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is IVKLTQNQMHDDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)6-7-13-19(17,18)14-8-4-5-10(9-14)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid?
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 113227859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).