methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone

C16H26N2O2S — CID 144655686

IUPACmethoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
SMILESCCOC.CSc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H18N2OS.C3H8O/c1-11(16)14-7-9-15(10-8-14)12-5-3-4-6-13(12)17-2;1-3-4-2/h3-6H,7-10H2,1-2H3;3H2,1-2H3
InChIKeyMSGCFCJOKJVFPO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.73
Rot. Bonds3

About methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone

methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone (PubChem CID 144655686) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Namemethoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
PubChem CID144655686
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Namemethoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
SMILESCCOC.CSc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H18N2OS.C3H8O/c1-11(16)14-7-9-15(10-8-14)12-5-3-4-6-13(12)17-2;1-3-4-2/h3-6H,7-10H2,1-2H3;3H2,1-2H3
InChIKeyMSGCFCJOKJVFPO-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 143176382
ethyl 6-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]hexanoate
CID 3719162
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277
[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841052
4-(2-methylsulfanylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3497239
N-(4-tert-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 3690834
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
CID 3824582
[4-(2-methylsulfanylphenyl)piperazin-1-yl]-[3-(2-phenylethynyl)phenyl]methanone
CID 69035982
methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate
CID 22939042
N-(2-methoxyquinolin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 19357177
2-(4-ethylpiperazin-1-yl)-6-methylsulfanylbenzoic acid
CID 113386120

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone (CID 144655686) is methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone is CCOC.CSc1ccccc1N1CCN(C(C)=O)CC1.
What is the InChIKey of methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone?
The InChIKey is MSGCFCJOKJVFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.C3H8O/c1-11(16)14-7-9-15(10-8-14)12-5-3-4-6-13(12)17-2;1-3-4-2/h3-6H,7-10H2,1-2H3;3H2,1-2H3.
What are the key properties of methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone?
methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone has a molecular weight of 310.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 144655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).