ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate

C15H22N2O5S — CID 94638463

IUPACethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H22N2O5S/c1-3-22-15(18)16-12-5-4-10-17(11-12)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHXKPPCUQUXWZDD-GFCCVEGCSA-N
MW342.42 g/mol
LogP1.59
Rot. Bonds5

About ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate

ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate (PubChem CID 94638463) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
PubChem CID94638463
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H22N2O5S/c1-3-22-15(18)16-12-5-4-10-17(11-12)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHXKPPCUQUXWZDD-GFCCVEGCSA-N
XLogP1.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
ethyl N-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]carbamate
CID 47065048
ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
CID 55915043
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 87924630
1-butan-2-yl-3-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]urea
CID 50847793
ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862935
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 9293273
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate (CID 94638463) is ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?
The InChIKey is HXKPPCUQUXWZDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-15(18)16-12-5-4-10-17(11-12)23(19,20)14-8-6-13(21-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate?
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate has a molecular weight of 342.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate is sourced from PubChem (CID 94638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).