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

C15H23NO2S — CID 17375841

IUPAC4-methyl-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-14-5-7-15(8-6-14)19(17,18)16-11-9-13(2)10-12-16/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyOJVMTNAITHMRAX-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.06
Rot. Bonds4

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

4-methyl-1-(4-propylphenyl)sulfonylpiperidine (PubChem CID 17375841) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-methyl-1-(4-propylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(4-propylphenyl)sulfonylpiperidine
PubChem CID17375841
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-14-5-7-15(8-6-14)19(17,18)16-11-9-13(2)10-12-16/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyOJVMTNAITHMRAX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
CID 19684397
1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperidine
CID 28719601
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(4-propylphenyl)sulfonylpiperidine (CID 17375841) is 4-methyl-1-(4-propylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(4-propylphenyl)sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-propylphenyl)sulfonylpiperidine?
The InChIKey is OJVMTNAITHMRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-14-5-7-15(8-6-14)19(17,18)16-11-9-13(2)10-12-16/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 4-methyl-1-(4-propylphenyl)sulfonylpiperidine?
4-methyl-1-(4-propylphenyl)sulfonylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylphenyl)sulfonylpiperidine is sourced from PubChem (CID 17375841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).