methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate

C15H22N2O5S — CID 110823359

IUPACmethyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)OC)CC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)17-10-8-12(9-11-17)16-15(18)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyNQOVKDSNIVLKHC-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.59
Rot. Bonds5

About methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate

methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 110823359) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID110823359
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namemethyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)OC)CC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)17-10-8-12(9-11-17)16-15(18)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyNQOVKDSNIVLKHC-UHFFFAOYSA-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

1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
N-cyclohexyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8745095
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate (CID 110823359) is methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate is CCOc1ccc(S(=O)(=O)N2CCC(NC(=O)OC)CC2)cc1.
What is the InChIKey of methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is NQOVKDSNIVLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)17-10-8-12(9-11-17)16-15(18)21-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate?
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-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 methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 110823359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).