ethyl 1-sulfamoylpiperidine-4-carboxylate

C8H16N2O4S — CID 37225342

IUPACethyl 1-sulfamoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyVAPNDWDJUYYAEJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.54
Rot. Bonds3

About ethyl 1-sulfamoylpiperidine-4-carboxylate

ethyl 1-sulfamoylpiperidine-4-carboxylate (PubChem CID 37225342) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 1-sulfamoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-sulfamoylpiperidine-4-carboxylate
PubChem CID37225342
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 1-sulfamoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyVAPNDWDJUYYAEJ-UHFFFAOYSA-N
XLogP-0.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
methyl 1-(dimethyl-S-aminosulfonimidoyl)piperidine-4-carboxylate hydrochloride
CID 139022590
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801
Ethyl 1-propyl-piperidine-4-carboxylate
CID 21202791

Frequently Asked Questions

What is the IUPAC name of ethyl 1-sulfamoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-sulfamoylpiperidine-4-carboxylate (CID 37225342) is ethyl 1-sulfamoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-sulfamoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-sulfamoylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of ethyl 1-sulfamoylpiperidine-4-carboxylate?
The InChIKey is VAPNDWDJUYYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of ethyl 1-sulfamoylpiperidine-4-carboxylate?
ethyl 1-sulfamoylpiperidine-4-carboxylate has a molecular weight of 236.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-sulfamoylpiperidine-4-carboxylate is sourced from PubChem (CID 37225342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).