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

C14H20N2O6S — CID 119226417

IUPAC2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CCCCN2S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H20N2O6S/c1-9-11(14(18)19)7-10(22-9)8-15-13(17)12-5-3-4-6-16(12)23(2,20)21/h7,12H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRVUGZKLHRILMAD-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.72
Rot. Bonds5

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

2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 119226417) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID119226417
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2CCCCN2S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H20N2O6S/c1-9-11(14(18)19)7-10(22-9)8-15-13(17)12-5-3-4-6-16(12)23(2,20)21/h7,12H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRVUGZKLHRILMAD-UHFFFAOYSA-N
XLogP0.72
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 95146386
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 103239396
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798
5-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61200264
methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 55612623
1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 134039566
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 119226417) is 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)C2CCCCN2S(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is RVUGZKLHRILMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-9-11(14(18)19)7-10(22-9)8-15-13(17)12-5-3-4-6-16(12)23(2,20)21/h7,12H,3-6,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).