2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

C15H22N2O6S — CID 125150141

IUPAC2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)O
InChIInChI=1S/C15H22N2O6S/c1-10-13(15(19)20)7-12(23-10)9-16(2)14(18)11-5-4-6-17(8-11)24(3,21)22/h7,11H,4-6,8-9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBYDMGVKULUANPI-LLVKDONJSA-N
MW358.42 g/mol
LogP0.92
Rot. Bonds5

About 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125150141) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125150141
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)O
InChIInChI=1S/C15H22N2O6S/c1-10-13(15(19)20)7-12(23-10)9-16(2)14(18)11-5-4-6-17(8-11)24(3,21)22/h7,11H,4-6,8-9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBYDMGVKULUANPI-LLVKDONJSA-N
XLogP0.92
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 55612623
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
5-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222487
methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 61242477
5-[[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221905
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
2-methyl-5-[[methyl-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150129
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 50945068
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 125150141) is 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is BYDMGVKULUANPI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-10-13(15(19)20)7-12(23-10)9-16(2)14(18)11-5-4-6-17(8-11)24(3,21)22/h7,11H,4-6,8-9H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).