2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C15H18F3NOS — CID 2746770

IUPAC2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(SCC(=O)N2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H18F3NOS/c1-11-2-4-13(5-3-11)21-10-14(20)19-8-6-12(7-9-19)15(16,17)18/h2-5,12H,6-10H2,1H3
InChIKeyAWVXNYZCQNDONV-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 2746770) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID2746770
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(SCC(=O)N2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H18F3NOS/c1-11-2-4-13(5-3-11)21-10-14(20)19-8-6-12(7-9-19)15(16,17)18/h2-5,12H,6-10H2,1H3
InChIKeyAWVXNYZCQNDONV-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 2746770) is 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is Cc1ccc(SCC(=O)N2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is AWVXNYZCQNDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c1-11-2-4-13(5-3-11)21-10-14(20)19-8-6-12(7-9-19)15(16,17)18/h2-5,12H,6-10H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 317.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 2746770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).