1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine

C20H31NO4S — CID 110617222

IUPAC1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2C)C1
InChIInChI=1S/C20H31NO4S/c1-3-24-15-17-7-6-12-21(14-17)26(22,23)20-11-10-19(13-16(20)2)25-18-8-4-5-9-18/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3
InChIKeyJKAQWLJHWBWOKN-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.75
Rot. Bonds7

About 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine

1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine (PubChem CID 110617222) has the molecular formula C20H31NO4S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
PubChem CID110617222
Molecular FormulaC20H31NO4S
Molecular Weight381.54 g/mol
Exact Mass381.20
IUPAC Name1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2C)C1
InChIInChI=1S/C20H31NO4S/c1-3-24-15-17-7-6-12-21(14-17)26(22,23)20-11-10-19(13-16(20)2)25-18-8-4-5-9-18/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3
InChIKeyJKAQWLJHWBWOKN-UHFFFAOYSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
2-[(3R)-3-(ethoxymethyl)piperidin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 95781642
4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110602803
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 110610346
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine
CID 164639150

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The IUPAC name of 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine (CID 110617222) is 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine.
What is the SMILES notation for 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The canonical SMILES for 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine is CCOCC1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2C)C1.
What is the InChIKey of 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The InChIKey is JKAQWLJHWBWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S/c1-3-24-15-17-7-6-12-21(14-17)26(22,23)20-11-10-19(13-16(20)2)25-18-8-4-5-9-18/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3.
What are the key properties of 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine?
1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine has a molecular weight of 381.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine is sourced from PubChem (CID 110617222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).