ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate

C12H23N3O4S — CID 66185024

IUPACethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(C)C2CNC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-3-19-12(16)10-4-6-15(7-5-10)20(17,18)14(2)11-8-13-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMPYRQXHLPKYFAU-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.59
Rot. Bonds5

About ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate

ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 66185024) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate
PubChem CID66185024
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(C)C2CNC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-3-19-12(16)10-4-6-15(7-5-10)20(17,18)14(2)11-8-13-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMPYRQXHLPKYFAU-UHFFFAOYSA-N
XLogP-0.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate
CID 66186180
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
ethyl 1-(3-methylpiperazin-1-yl)sulfonylpiperidine-4-carboxylate
CID 65449009

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate (CID 66185024) is ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)N(C)C2CNC2)CC1.
What is the InChIKey of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is MPYRQXHLPKYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-3-19-12(16)10-4-6-15(7-5-10)20(17,18)14(2)11-8-13-9-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate?
ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 66185024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).