(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone

C14H19NO3S — CID 47065258

IUPAC(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(10-8-13)19(2,17)18/h3-6,13H,7-10H2,1-2H3
InChIKeyFXIONTLCBKCVDU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.85
Rot. Bonds3

About (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone

(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 47065258) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID47065258
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(10-8-13)19(2,17)18/h3-6,13H,7-10H2,1-2H3
InChIKeyFXIONTLCBKCVDU-UHFFFAOYSA-N
XLogP1.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5511
CID 5511
CID 3236
CID 3236
CID 92965
CID 92965
CID 123698
CID 123698
CID 2740817
CID 2740817
CID 826664
CID 826664
CID 3577020
CID 3577020
CID 12508857
CID 12508857
CID 120531
CID 120531
CID 90769
CID 90769
CID 688590
CID 688590
CID 49875596
CID 49875596

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 47065258) is (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone is Cc1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is FXIONTLCBKCVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(10-8-13)19(2,17)18/h3-6,13H,7-10H2,1-2H3.
What are the key properties of (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 281.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 47065258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).