ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

C17H20N2O4S — CID 683417

IUPACethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-11-19(12-9-14)24(21,22)15-7-3-5-13-6-4-10-18-16(13)15/h3-7,10,14H,2,8-9,11-12H2,1H3
InChIKeyVVULHLVGLOONHY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds4

About ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate (PubChem CID 683417) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
PubChem CID683417
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-11-19(12-9-14)24(21,22)15-7-3-5-13-6-4-10-18-16(13)15/h3-7,10,14H,2,8-9,11-12H2,1H3
InChIKeyVVULHLVGLOONHY-UHFFFAOYSA-N
XLogP2.20
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate (CID 683417) is ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is VVULHLVGLOONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-11-19(12-9-14)24(21,22)15-7-3-5-13-6-4-10-18-16(13)15/h3-7,10,14H,2,8-9,11-12H2,1H3.
What are the key properties of ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate?
ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 683417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).