ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate

C18H27ClN2O4S — CID 2321146

IUPACethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O4S/c1-4-25-17(22)14-9-11-21(12-10-14)13-18(2,3)20-26(23,24)16-7-5-15(19)6-8-16/h5-8,14,20H,4,9-13H2,1-3H3
InChIKeyUAOARGPZPHQBLE-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.67
Rot. Bonds7

About ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate (PubChem CID 2321146) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate
PubChem CID2321146
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC Nameethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O4S/c1-4-25-17(22)14-9-11-21(12-10-14)13-18(2,3)20-26(23,24)16-7-5-15(19)6-8-16/h5-8,14,20H,4,9-13H2,1-3H3
InChIKeyUAOARGPZPHQBLE-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate (CID 2321146) is ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate?
The InChIKey is UAOARGPZPHQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-4-25-17(22)14-9-11-21(12-10-14)13-18(2,3)20-26(23,24)16-7-5-15(19)6-8-16/h5-8,14,20H,4,9-13H2,1-3H3.
What are the key properties of ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate has a molecular weight of 402.94 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropyl]piperidine-4-carboxylate is sourced from PubChem (CID 2321146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).