ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate

C8H16N2O4S — CID 134552702

IUPACethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H](S(N)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)6-3-7(5-10-4-6)15(9,12)13/h6-7,10H,2-5H2,1H3,(H2,9,12,13)/t6-,7+/m1/s1
InChIKeyALQVVAGFVDXXMR-RQJHMYQMSA-N
MW236.29 g/mol
LogP-1.18
Rot. Bonds3

About ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate

ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate (PubChem CID 134552702) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
PubChem CID134552702
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H](S(N)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)6-3-7(5-10-4-6)15(9,12)13/h6-7,10H,2-5H2,1H3,(H2,9,12,13)/t6-,7+/m1/s1
InChIKeyALQVVAGFVDXXMR-RQJHMYQMSA-N
XLogP-1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;ethyl (3S,5R)-5-sulfamoylpiperidine-3-carboxylate;ethyl (3R,5R)-5-sulfamoylpiperidine-3-carboxylate;ethyl (3S,5S)-5-sulfamoylpiperidine-3-carboxylate;ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
CID 161202360
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
azetidine-3-carboxylic acid;ethyl azetidine-3-carboxylate;hydrochloride
CID 158193834
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 155820043
acetic acid;(3S,5S)-5-methoxypiperidine-3-sulfonamide
CID 162322819
(3R,5R)-5-hydroxypiperidine-3-sulfonamide
CID 122701880
(3S,5S)-5-methylpiperidine-3-sulfonamide
CID 142359349
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate
CID 66185024
ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate (CID 134552702) is ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate is CCOC(=O)[C@H]1CNC[C@@H](S(N)(=O)=O)C1.
What is the InChIKey of ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate?
The InChIKey is ALQVVAGFVDXXMR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-14-8(11)6-3-7(5-10-4-6)15(9,12)13/h6-7,10H,2-5H2,1H3,(H2,9,12,13)/t6-,7+/m1/s1.
What are the key properties of ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate?
ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate has a molecular weight of 236.29 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate is sourced from PubChem (CID 134552702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).