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

C18H28N2O4S — CID 2320026

IUPACethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-4-24-17(21)15-10-12-20(13-11-15)14-18(2,3)19-25(22,23)16-8-6-5-7-9-16/h5-9,15,19H,4,10-14H2,1-3H3
InChIKeyVOMCLQFPGCWATF-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.02
Rot. Bonds7

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

ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate (PubChem CID 2320026) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
PubChem CID2320026
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Nameethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-4-24-17(21)15-10-12-20(13-11-15)14-18(2,3)19-25(22,23)16-8-6-5-7-9-16/h5-9,15,19H,4,10-14H2,1-3H3
InChIKeyVOMCLQFPGCWATF-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate (CID 2320026) is ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate?
The InChIKey is VOMCLQFPGCWATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-24-17(21)15-10-12-20(13-11-15)14-18(2,3)19-25(22,23)16-8-6-5-7-9-16/h5-9,15,19H,4,10-14H2,1-3H3.
What are the key properties of ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate?
ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate has a molecular weight of 368.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate is sourced from PubChem (CID 2320026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).