[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C21H26N2OS — CID 58211273

IUPAC[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C21H26N2OS/c1-15-10-12-23(13-11-15)21(24)19-9-5-8-18(22-19)14-25-20-16(2)6-4-7-17(20)3/h4-9,15H,10-14H2,1-3H3
InChIKeyVRQDLQURGIFSES-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.86
Rot. Bonds4

About [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58211273) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58211273
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C21H26N2OS/c1-15-10-12-23(13-11-15)21(24)19-9-5-8-18(22-19)14-25-20-16(2)6-4-7-17(20)3/h4-9,15H,10-14H2,1-3H3
InChIKeyVRQDLQURGIFSES-UHFFFAOYSA-N
XLogP4.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130
[6-[(3,5-dimethylcyclohexyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211721
[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 58211437
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210845
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide
CID 58210986
azepan-1-yl-[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 58210853
N-[(2-methylphenyl)methyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095422
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58211189

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58211273) is [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(C)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VRQDLQURGIFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15-10-12-23(13-11-15)21(24)19-9-5-8-18(22-19)14-25-20-16(2)6-4-7-17(20)3/h4-9,15H,10-14H2,1-3H3.
What are the key properties of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 354.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).