ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate

C14H19NO4S — CID 10732772

IUPACethyl 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(16)13-10-6-7-11-15(13)20(17,18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMSZJBCLQSZKRQD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.79
Rot. Bonds4

About ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate

ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate (PubChem CID 10732772) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzenesulfonyl)piperidine-2-carboxylate
PubChem CID10732772
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(16)13-10-6-7-11-15(13)20(17,18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMSZJBCLQSZKRQD-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate (CID 10732772) is ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
The InChIKey is MSZJBCLQSZKRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-14(16)13-10-6-7-11-15(13)20(17,18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate?
ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 10732772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).