[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

C20H24N2OS — CID 11990222

IUPAC[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(SCc2cccc(C(=O)N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-15-9-10-19(16(2)13-15)24-14-17-7-6-8-18(21-17)20(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyJTJYIAJILWBTQL-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.62
Rot. Bonds4

About [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 11990222) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID11990222
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(SCc2cccc(C(=O)N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-15-9-10-19(16(2)13-15)24-14-17-7-6-8-18(21-17)20(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12,14H2,1-2H3
InChIKeyJTJYIAJILWBTQL-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 11990222) is [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(SCc2cccc(C(=O)N3CCCCC3)n2)c(C)c1.
What is the InChIKey of [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is JTJYIAJILWBTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-9-10-19(16(2)13-15)24-14-17-7-6-8-18(21-17)20(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12,14H2,1-2H3.
What are the key properties of [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 340.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 11990222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).