1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine

C15H21NO2S — CID 118297009

IUPAC1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-2-4-13(5-3-12)14-8-10-16(11-9-14)19(17,18)15-6-7-15/h2-5,14-15H,6-11H2,1H3
InChIKeyVBUOBVJVTDSNNA-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.67
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine

1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine (PubChem CID 118297009) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
PubChem CID118297009
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-2-4-13(5-3-12)14-8-10-16(11-9-14)19(17,18)15-6-7-15/h2-5,14-15H,6-11H2,1H3
InChIKeyVBUOBVJVTDSNNA-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
3-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 132966939
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
4-(1-ethylsulfonylpiperidin-4-yl)phenol
CID 54861048
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine (CID 118297009) is 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine is Cc1ccc(C2CCN(S(=O)(=O)C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine?
The InChIKey is VBUOBVJVTDSNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-2-4-13(5-3-12)14-8-10-16(11-9-14)19(17,18)15-6-7-15/h2-5,14-15H,6-11H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine?
1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine has a molecular weight of 279.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine is sourced from PubChem (CID 118297009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).