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

C15H22N2O6S — CID 55612623

IUPACmethyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)oc1C
InChIInChI=1S/C15H22N2O6S/c1-10-13(15(19)22-2)7-12(23-10)8-16-14(18)11-5-4-6-17(9-11)24(3,20)21/h7,11H,4-6,8-9H2,1-3H3,(H,16,18)
InChIKeyOJEUIDXHYNXBJW-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.66
Rot. Bonds5

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

methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 55612623) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID55612623
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Namemethyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)oc1C
InChIInChI=1S/C15H22N2O6S/c1-10-13(15(19)22-2)7-12(23-10)8-16-14(18)11-5-4-6-17(9-11)24(3,20)21/h7,11H,4-6,8-9H2,1-3H3,(H,16,18)
InChIKeyOJEUIDXHYNXBJW-UHFFFAOYSA-N
XLogP0.66
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
methyl 2-methyl-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylate
CID 78845691
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
2-methyl-5-[[methyl-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150141
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4776890
methyl 2-methyl-5-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]furan-3-carboxylate;hydroiodide
CID 111144489
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
methyl 2-methyl-5-[[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 119114419
methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate (CID 55612623) is methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is OJEUIDXHYNXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-10-13(15(19)22-2)7-12(23-10)8-16-14(18)11-5-4-6-17(9-11)24(3,20)21/h7,11H,4-6,8-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55612623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).