ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate

C14H20N2O6S2 — CID 2198274

IUPACethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O6S2/c1-2-22-14(17)11-4-3-9-16(10-11)24(20,21)13-7-5-12(6-8-13)23(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m1/s1
InChIKeyMBQROBXCMJUKDM-LLVKDONJSA-N
MW376.46 g/mol
LogP0.30
Rot. Bonds5

About ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 2198274) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID2198274
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC Nameethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O6S2/c1-2-22-14(17)11-4-3-9-16(10-11)24(20,21)13-7-5-12(6-8-13)23(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m1/s1
InChIKeyMBQROBXCMJUKDM-LLVKDONJSA-N
XLogP0.30
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxylate
CID 1345678
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
ethyl (3R)-1-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 170561359
ethyl (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 1174585
ethyl (3R)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 27299704
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate (CID 2198274) is ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is MBQROBXCMJUKDM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c1-2-22-14(17)11-4-3-9-16(10-11)24(20,21)13-7-5-12(6-8-13)23(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 2198274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).