(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone

C15H21NO2S — CID 2890365

IUPAC(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H21NO2S/c1-11-5-4-8-16(10-11)15(17)13-7-6-12(19-3)9-14(13)18-2/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyJVFMMAIMHHHKEZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.29
Rot. Bonds3

About (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone

(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 2890365) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID2890365
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H21NO2S/c1-11-5-4-8-16(10-11)15(17)13-7-6-12(19-3)9-14(13)18-2/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyJVFMMAIMHHHKEZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

JX401
CID 1126109
2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
(4-Benzylpiperazin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1124072
2-methoxy-4-(methylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 2889735
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
[4-Methylsulfonyl-2-(trifluoromethoxy)phenyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256089
[4-Methylsulfonyl-2-(trifluoromethoxy)phenyl]-[4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]piperidin-1-yl]methanone
CID 59447390
[4-Methylsulfonyl-2-(trifluoromethoxy)phenyl]-[4-[1-[3-(trifluoromethyl)phenyl]sulfonylethyl]piperidin-1-yl]methanone
CID 72301648
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(methylsulfanyl)benzamide
CID 614253
(2-Methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 669785
N-isopropyl-2-methoxy-4-(methylthio)benzamide
CID 669888

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 2890365) is (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone is COc1cc(SC)ccc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JVFMMAIMHHHKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-5-4-8-16(10-11)15(17)13-7-6-12(19-3)9-14(13)18-2/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
(2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2890365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).