1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone

C8H16N2OS — CID 60634814

IUPAC1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2OS/c1-9-3-5-10(6-4-9)8(11)7-12-2/h3-7H2,1-2H3
InChIKeyOVMVAEOYRMVINS-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.12
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone

1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone (PubChem CID 60634814) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone
PubChem CID60634814
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2OS/c1-9-3-5-10(6-4-9)8(11)7-12-2/h3-7H2,1-2H3
InChIKeyOVMVAEOYRMVINS-UHFFFAOYSA-N
XLogP0.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone (CID 60634814) is 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone is CSCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone?
The InChIKey is OVMVAEOYRMVINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-9-3-5-10(6-4-9)8(11)7-12-2/h3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone?
1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone has a molecular weight of 188.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 60634814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).