ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate

C17H20N2O4S — CID 2917197

IUPACethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-5-11-19(12-14)24(21,22)15-9-3-6-13-7-4-10-18-16(13)15/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3
InChIKeyXABZKASWEGYHPF-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds4

About ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate

ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate (PubChem CID 2917197) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
PubChem CID2917197
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-5-11-19(12-14)24(21,22)15-9-3-6-13-7-4-10-18-16(13)15/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3
InChIKeyXABZKASWEGYHPF-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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Related Compounds

ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285

Frequently Asked Questions

What is the IUPAC name of ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate (CID 2917197) is ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate?
The InChIKey is XABZKASWEGYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-17(20)14-8-5-11-19(12-14)24(21,22)15-9-3-6-13-7-4-10-18-16(13)15/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3.
What are the key properties of ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate?
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-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-3-carboxylate is sourced from PubChem (CID 2917197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).