1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine

C10H22N2OS — CID 154684370

IUPAC1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
SMILESCOCCN1CC(C)N(SC)CC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-12(14-4)10(2)7-11(9)5-6-13-3/h9-10H,5-8H2,1-4H3
InChIKeyGZIHBDPTZPBLGB-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine

1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine (PubChem CID 154684370) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
PubChem CID154684370
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
SMILESCOCCN1CC(C)N(SC)CC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-12(14-4)10(2)7-11(9)5-6-13-3/h9-10H,5-8H2,1-4H3
InChIKeyGZIHBDPTZPBLGB-UHFFFAOYSA-N
XLogP1.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
CID 154684230
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
1-(2-methoxyethyl)-2,6-dimethylazepane
CID 126991337
1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
CID 131114155
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
CID 64869408
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
CID 75431601
(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 164971372
2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 95333025
(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
CID 162375653
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine?
The IUPAC name of 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine (CID 154684370) is 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine?
The canonical SMILES for 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine is COCCN1CC(C)N(SC)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine?
The InChIKey is GZIHBDPTZPBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9-8-12(14-4)10(2)7-11(9)5-6-13-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine?
1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine has a molecular weight of 218.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine is sourced from PubChem (CID 154684370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).