ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate

C18H25N5O4S — CID 51134003

IUPACethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC(Cn2cncn2)c2ccccc2)C1
InChIInChI=1S/C18H25N5O4S/c1-2-27-18(24)16-9-6-10-23(11-16)28(25,26)21-17(12-22-14-19-13-20-22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-17,21H,2,6,9-12H2,1H3
InChIKeyGUJCEFSYTTWVRQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.13
Rot. Bonds8

About ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate

ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate (PubChem CID 51134003) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate
PubChem CID51134003
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Nameethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC(Cn2cncn2)c2ccccc2)C1
InChIInChI=1S/C18H25N5O4S/c1-2-27-18(24)16-9-6-10-23(11-16)28(25,26)21-17(12-22-14-19-13-20-22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-17,21H,2,6,9-12H2,1H3
InChIKeyGUJCEFSYTTWVRQ-UHFFFAOYSA-N
XLogP1.13
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
2-(hydroxymethyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428221
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
ethyl (3S)-1-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]piperidine-3-carboxylate
CID 100900733
ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 34052695
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate (CID 51134003) is ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NC(Cn2cncn2)c2ccccc2)C1.
What is the InChIKey of ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate?
The InChIKey is GUJCEFSYTTWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-2-27-18(24)16-9-6-10-23(11-16)28(25,26)21-17(12-22-14-19-13-20-22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-17,21H,2,6,9-12H2,1H3.
What are the key properties of ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate?
ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate has a molecular weight of 407.50 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]sulfamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51134003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).