ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate

C15H22N2O4S — CID 33038124

IUPACethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)17-10-8-14(9-11-17)16-22(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyDQJQTKGFJKFBMA-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.73
Rot. Bonds5

About ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate

ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate (PubChem CID 33038124) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate
PubChem CID33038124
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)17-10-8-14(9-11-17)16-22(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyDQJQTKGFJKFBMA-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate (CID 33038124) is ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is DQJQTKGFJKFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-15(18)17-10-8-14(9-11-17)16-22(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3.
What are the key properties of ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate?
ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 33038124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).