1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid

C13H18N2O6S — CID 119175911

IUPAC1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C13H18N2O6S/c1-14(2)22(19,20)11-7-6-10(21-11)12(16)15-8-4-3-5-9(15)13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyZNHICMGCENBIJT-UHFFFAOYSA-N
MW330.36 g/mol
LogP0.61
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid

1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 119175911) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID119175911
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)o1
InChIInChI=1S/C13H18N2O6S/c1-14(2)22(19,20)11-7-6-10(21-11)12(16)15-8-4-3-5-9(15)13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyZNHICMGCENBIJT-UHFFFAOYSA-N
XLogP0.61
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359317
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-dimethylfuran-2-sulfonamide
CID 120815864
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355877
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 110835478

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid (CID 119175911) is 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)o1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is ZNHICMGCENBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-14(2)22(19,20)11-7-6-10(21-11)12(16)15-8-4-3-5-9(15)13(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).