2-butyl-1-(4-methylphenyl)sulfonylpiperidine

C16H25NO2S — CID 177451088

IUPAC2-butyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-3-4-7-15-8-5-6-13-17(15)20(18,19)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3
InChIKeyQNFWEAAGGKLAKZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.73
Rot. Bonds5

About 2-butyl-1-(4-methylphenyl)sulfonylpiperidine

2-butyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 177451088) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-butyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-butyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID177451088
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-butyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-3-4-7-15-8-5-6-13-17(15)20(18,19)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3
InChIKeyQNFWEAAGGKLAKZ-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylpiperidine
CID 101399954
(2R)-1-(4-methylphenyl)sulfonyl-2-(3-phenylmethoxypropyl)piperidine
CID 134838395
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate
CID 59042580
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride
CID 11121973
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2-butyl-1-(4-methylphenyl)sulfonylpiperidine (CID 177451088) is 2-butyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-butyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-butyl-1-(4-methylphenyl)sulfonylpiperidine is CCCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-butyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is QNFWEAAGGKLAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-4-7-15-8-5-6-13-17(15)20(18,19)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of 2-butyl-1-(4-methylphenyl)sulfonylpiperidine?
2-butyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 295.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 177451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).