1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

C15H22N2O6S — CID 122113960

IUPAC1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H22N2O6S/c1-9-5-6-11(15(19)20)8-17(9)14(18)12-7-13(23-10(12)2)24(21,22)16(3)4/h7,9,11H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyUJLRKOWJHXDOJC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.16
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113960) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113960
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H22N2O6S/c1-9-5-6-11(15(19)20)8-17(9)14(18)12-7-13(23-10(12)2)24(21,22)16(3)4/h7,9,11H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyUJLRKOWJHXDOJC-UHFFFAOYSA-N
XLogP1.16
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 119639521
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
1-(5,6-dimethyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112700
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid
CID 122114222
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119625506
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122114271
1-(2,4-dimethyl-5-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112684

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122113960) is 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is UJLRKOWJHXDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-9-5-6-11(15(19)20)8-17(9)14(18)12-7-13(23-10(12)2)24(21,22)16(3)4/h7,9,11H,5-6,8H2,1-4H3,(H,19,20).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).