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

C12H23N3O4S — CID 66186180

IUPACethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)N(C)C2CNC2)C1
InChIInChI=1S/C12H23N3O4S/c1-3-19-12(16)10-5-4-6-15(9-10)20(17,18)14(2)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyZXFZMZYWZZWMKK-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.59
Rot. Bonds5

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

ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate (PubChem CID 66186180) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate
PubChem CID66186180
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)N(C)C2CNC2)C1
InChIInChI=1S/C12H23N3O4S/c1-3-19-12(16)10-5-4-6-15(9-10)20(17,18)14(2)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyZXFZMZYWZZWMKK-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-4-carboxylate
CID 66185024
2-[(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-methylamino]acetic acid
CID 43173165
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl (3S)-1-[(2-bromophenyl)methyl-methylsulfamoyl]piperidine-3-carboxylate
CID 51939551
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 3641526
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate (CID 66186180) is ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)N(C)C2CNC2)C1.
What is the InChIKey of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate?
The InChIKey is ZXFZMZYWZZWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-3-19-12(16)10-5-4-6-15(9-10)20(17,18)14(2)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate?
ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 66186180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).