1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

C11H20N2OS — CID 107019465

IUPAC1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESCN1CCN(C(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C11H20N2OS/c1-12-4-6-13(7-5-12)10(14)8-11(9-15)2-3-11/h15H,2-9H2,1H3
InChIKeyPRNZVVQBHFRYHG-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.86
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (PubChem CID 107019465) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
PubChem CID107019465
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESCN1CCN(C(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C11H20N2OS/c1-12-4-6-13(7-5-12)10(14)8-11(9-15)2-3-11/h15H,2-9H2,1H3
InChIKeyPRNZVVQBHFRYHG-UHFFFAOYSA-N
XLogP0.86
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (CID 107019465) is 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is CN1CCN(C(=O)CC2(CS)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The InChIKey is PRNZVVQBHFRYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-12-4-6-13(7-5-12)10(14)8-11(9-15)2-3-11/h15H,2-9H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone has a molecular weight of 228.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is sourced from PubChem (CID 107019465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).