2-methyl-1-(4-propylphenyl)sulfonylpiperidine

C15H23NO2S — CID 17375823

IUPAC2-methyl-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-6-14-8-10-15(11-9-14)19(17,18)16-12-5-4-7-13(16)2/h8-11,13H,3-7,12H2,1-2H3
InChIKeyMAIHBNAOSYQREK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-1-(4-propylphenyl)sulfonylpiperidine

2-methyl-1-(4-propylphenyl)sulfonylpiperidine (PubChem CID 17375823) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methyl-1-(4-propylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(4-propylphenyl)sulfonylpiperidine
PubChem CID17375823
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-methyl-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-6-14-8-10-15(11-9-14)19(17,18)16-12-5-4-7-13(16)2/h8-11,13H,3-7,12H2,1-2H3
InChIKeyMAIHBNAOSYQREK-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The IUPAC name of 2-methyl-1-(4-propylphenyl)sulfonylpiperidine (CID 17375823) is 2-methyl-1-(4-propylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-(4-propylphenyl)sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The InChIKey is MAIHBNAOSYQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-6-14-8-10-15(11-9-14)19(17,18)16-12-5-4-7-13(16)2/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-propylphenyl)sulfonylpiperidine?
2-methyl-1-(4-propylphenyl)sulfonylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propylphenyl)sulfonylpiperidine is sourced from PubChem (CID 17375823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).