methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

C14H19NO4S — CID 2968792

IUPACmethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-11-6-8-12(9-7-11)20(17,18)15-10-4-3-5-13(15)14(16)19-2/h6-9,13H,3-5,10H2,1-2H3
InChIKeyFTSRQTLEEZDUGD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.71
Rot. Bonds3

About methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 2968792) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID2968792
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-11-6-8-12(9-7-11)20(17,18)15-10-4-3-5-13(15)14(16)19-2/h6-9,13H,3-5,10H2,1-2H3
InChIKeyFTSRQTLEEZDUGD-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate (CID 2968792) is methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is FTSRQTLEEZDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11-6-8-12(9-7-11)20(17,18)15-10-4-3-5-13(15)14(16)19-2/h6-9,13H,3-5,10H2,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 2968792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).