1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

C14H21NO5S2 — CID 90585227

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H21NO5S2/c1-3-20-12-4-6-14(7-5-12)22(18,19)15-10-8-13(9-11-15)21(2,16)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyYNJYOLRJDNYEOJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 90585227) has the molecular formula C14H21NO5S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID90585227
Molecular FormulaC14H21NO5S2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H21NO5S2/c1-3-20-12-4-6-14(7-5-12)22(18,19)15-10-8-13(9-11-15)21(2,16)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyYNJYOLRJDNYEOJ-UHFFFAOYSA-N
XLogP1.28
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
4-(diethoxyphosphorylmethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine
CID 141058059
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (CID 90585227) is 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is CCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is YNJYOLRJDNYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S2/c1-3-20-12-4-6-14(7-5-12)22(18,19)15-10-8-13(9-11-15)21(2,16)17/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 347.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90585227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).