1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one

C10H20N2OS — CID 51079912

IUPAC1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)SC)CC1
InChIInChI=1S/C10H20N2OS/c1-4-11-5-7-12(8-6-11)10(13)9(2)14-3/h9H,4-8H2,1-3H3
InChIKeyRJCLBHJIMCLDTP-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.90
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one

1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one (PubChem CID 51079912) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
PubChem CID51079912
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)SC)CC1
InChIInChI=1S/C10H20N2OS/c1-4-11-5-7-12(8-6-11)10(13)9(2)14-3/h9H,4-8H2,1-3H3
InChIKeyRJCLBHJIMCLDTP-UHFFFAOYSA-N
XLogP0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one (CID 51079912) is 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one is CCN1CCN(C(=O)C(C)SC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
The InChIKey is RJCLBHJIMCLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-11-5-7-12(8-6-11)10(13)9(2)14-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 51079912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).