ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate

C15H19N3O4S — CID 2815494

IUPACethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O4S/c1-2-22-15(19)18-9-7-13(8-10-18)17-23(20,21)14-5-3-12(11-16)4-6-14/h3-6,13,17H,2,7-10H2,1H3
InChIKeyGEIPIHRLGZYMOG-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.46
Rot. Bonds4

About ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 2815494) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID2815494
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O4S/c1-2-22-15(19)18-9-7-13(8-10-18)17-23(20,21)14-5-3-12(11-16)4-6-14/h3-6,13,17H,2,7-10H2,1H3
InChIKeyGEIPIHRLGZYMOG-UHFFFAOYSA-N
XLogP1.46
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate (CID 2815494) is ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is GEIPIHRLGZYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-22-15(19)18-9-7-13(8-10-18)17-23(20,21)14-5-3-12(11-16)4-6-14/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-cyanophenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2815494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).