1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

C17H26N2O3S — CID 87024749

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-4-12-18/h5-8,15H,2-4,9-14H2,1H3
InChIKeyHXZZQSFZLSKKMK-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.33
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 87024749) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
PubChem CID87024749
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-4-12-18/h5-8,15H,2-4,9-14H2,1H3
InChIKeyHXZZQSFZLSKKMK-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
4-(diethoxyphosphorylmethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine
CID 141058059
1-(cyclopropylmethyl)-4-(4-ethoxyphenyl)sulfonyl-1,4-diazepane
CID 95751370
formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
CID 171678492
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (CID 87024749) is 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine is CCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is HXZZQSFZLSKKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-4-12-18/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 338.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 87024749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).