methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate

C14H19NO5S — CID 115279294

IUPACmethyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO5S/c1-19-12-8-3-4-9-13(12)21(17,18)15-10-6-5-7-11(15)14(16)20-2/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKeyHRKXVAPKQYKNPN-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.41
Rot. Bonds4

About methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate

methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 115279294) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID115279294
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO5S/c1-19-12-8-3-4-9-13(12)21(17,18)15-10-6-5-7-11(15)14(16)20-2/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKeyHRKXVAPKQYKNPN-UHFFFAOYSA-N
XLogP1.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-2-carboxylate
CID 3775996
methyl (2S)-1-(4-amino-2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 135144235
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl 1-(2-formamidophenyl)sulfonylpyrrolidine-2-carboxylate
CID 168653448
methyl (2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 51666760
(2S,3S)-1-(2-methoxyphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105449
methyl 1-(2,4-dibromophenyl)sulfonylpiperidine-2-carboxylate
CID 61216236
methyl (2R)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836483
methyl (2R)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836493
methyl (2R)-1-(2-bromo-4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836482
methyl 1-(2-amino-4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 61114448
methyl 1-(2-amino-4-chlorophenyl)sulfonylpiperidine-2-carboxylate
CID 61114070

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate (CID 115279294) is methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1OC.
What is the InChIKey of methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is HRKXVAPKQYKNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-19-12-8-3-4-9-13(12)21(17,18)15-10-6-5-7-11(15)14(16)20-2/h3-4,8-9,11H,5-7,10H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate?
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 115279294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).