ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate

C14H20N2O4S — CID 64591199

IUPACethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-14(17)12-7-6-10-16(11-12)21(18,19)15-13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3
InChIKeyOQFKVIMAXWPQKK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.62
Rot. Bonds5

About ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate

ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate (PubChem CID 64591199) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
PubChem CID64591199
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-14(17)12-7-6-10-16(11-12)21(18,19)15-13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3
InChIKeyOQFKVIMAXWPQKK-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 34052695
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate
CID 51134003
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate (CID 64591199) is ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)Nc2ccccc2)C1.
What is the InChIKey of ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is OQFKVIMAXWPQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-20-14(17)12-7-6-10-16(11-12)21(18,19)15-13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate?
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 64591199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).