ethyl 1-sulfamoylpiperidine-3-carboxylate

C8H16N2O4S — CID 43245054

IUPACethyl 1-sulfamoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)7-4-3-5-10(6-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyLTINECQPXUBTHJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.54
Rot. Bonds3

About ethyl 1-sulfamoylpiperidine-3-carboxylate

ethyl 1-sulfamoylpiperidine-3-carboxylate (PubChem CID 43245054) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 1-sulfamoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-sulfamoylpiperidine-3-carboxylate
PubChem CID43245054
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 1-sulfamoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)7-4-3-5-10(6-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyLTINECQPXUBTHJ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-sulfamoylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-sulfamoylpiperidine-3-carboxylate (CID 43245054) is ethyl 1-sulfamoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-sulfamoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-sulfamoylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(N)(=O)=O)C1.
What is the InChIKey of ethyl 1-sulfamoylpiperidine-3-carboxylate?
The InChIKey is LTINECQPXUBTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-14-8(11)7-4-3-5-10(6-7)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of ethyl 1-sulfamoylpiperidine-3-carboxylate?
ethyl 1-sulfamoylpiperidine-3-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-3-carboxylate is sourced from PubChem (CID 43245054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).