1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one

C10H20N2OS — CID 119564190

IUPAC1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C10H20N2OS/c1-7-5-12(6-8(2)11-7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyZBFBDLFFBJFZPI-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds2

About 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one

1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one (PubChem CID 119564190) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
PubChem CID119564190
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C10H20N2OS/c1-7-5-12(6-8(2)11-7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyZBFBDLFFBJFZPI-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one (CID 119564190) is 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CC(C)NC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The InChIKey is ZBFBDLFFBJFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7-5-12(6-8(2)11-7)10(13)9(3)14-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 119564190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).