methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate

C13H18N2O4S — CID 62005683

IUPACmethyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)10-6-8-15(9-7-10)11-2-4-12(5-3-11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyZJPRTNFERRBQMT-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.72
Rot. Bonds3

About methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate

methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate (PubChem CID 62005683) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
PubChem CID62005683
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)10-6-8-15(9-7-10)11-2-4-12(5-3-11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyZJPRTNFERRBQMT-UHFFFAOYSA-N
XLogP0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[4-(aminosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate
CID 50873964
4-((4-(Piperidin-1-ylsulfonyl)phenyl)amino)butanoic acid
CID 2829407
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
CID 788623
1-{4-[(4-Methylpiperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 19614435
Ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439
Ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate
CID 2905301
Methyl (4-((4-methylpiperidin-1-yl)sulfonyl)phenyl)carbamate
CID 2927741
methyl N-(4-{[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate
CID 3518695
1-{4-[(3-Methylpiperidyl)sulfonyl]phenyl}pyrrolidin-2-one
CID 19614516
3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588735
Ethyl 1-[2-[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 24816719
4-(4-Methyl-piperidin-1-yl)-N-(4-sulfamoyl-phenyl)-butyramide
CID 44391859

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate (CID 62005683) is methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The InChIKey is ZJPRTNFERRBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-13(16)10-6-8-15(9-7-10)11-2-4-12(5-3-11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18).
What are the key properties of methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 62005683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).