ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate

C14H19NO5S — CID 81239319

IUPACethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C14H19NO5S/c1-2-20-14(17)11-6-5-9-15(10-11)21(18,19)13-8-4-3-7-12(13)16/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3
InChIKeySGUQWPZFIPHTBS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.36
Rot. Bonds4

About ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate

ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 81239319) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID81239319
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Nameethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C14H19NO5S/c1-2-20-14(17)11-6-5-9-15(10-11)21(18,19)13-8-4-3-7-12(13)16/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3
InChIKeySGUQWPZFIPHTBS-UHFFFAOYSA-N
XLogP1.36
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
ethyl (3R)-1-(2,5-dibromophenyl)sulfonylpiperidine-3-carboxylate
CID 26948371
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
ethyl 1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 3905235

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate (CID 81239319) is ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is SGUQWPZFIPHTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-20-14(17)11-6-5-9-15(10-11)21(18,19)13-8-4-3-7-12(13)16/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate?
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 81239319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).