(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone

C15H22N2OS — CID 166876433

IUPAC(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCSC1C(C)CCCCN1C(=O)c1ccc(C)nc1
InChIInChI=1S/C15H22N2OS/c1-11-6-4-5-9-17(15(11)19-3)14(18)13-8-7-12(2)16-10-13/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyMRCUQVWXDNHGIR-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.34
Rot. Bonds2

About (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone

(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 166876433) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID166876433
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCSC1C(C)CCCCN1C(=O)c1ccc(C)nc1
InChIInChI=1S/C15H22N2OS/c1-11-6-4-5-9-17(15(11)19-3)14(18)13-8-7-12(2)16-10-13/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyMRCUQVWXDNHGIR-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
(6-methyl-3-pyridinyl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491309
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66465121

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone (CID 166876433) is (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone is CSC1C(C)CCCCN1C(=O)c1ccc(C)nc1.
What is the InChIKey of (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MRCUQVWXDNHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-6-4-5-9-17(15(11)19-3)14(18)13-8-7-12(2)16-10-13/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone?
(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 278.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 166876433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).