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

C15H22N2O4S — CID 2815493

IUPACethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-21-15(18)17-10-8-13(9-11-17)16-22(19,20)14-6-4-12(2)5-7-14/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyURWYRGONPJCYMU-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.89
Rot. Bonds4

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

ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 2815493) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID2815493
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-21-15(18)17-10-8-13(9-11-17)16-22(19,20)14-6-4-12(2)5-7-14/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyURWYRGONPJCYMU-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 2815493) is ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is URWYRGONPJCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-15(18)17-10-8-13(9-11-17)16-22(19,20)14-6-4-12(2)5-7-14/h4-7,13,16H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2815493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).