2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide

C9H18N4OS — CID 2196319

IUPAC2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide
SMILESCCNC(=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C9H18N4OS/c1-2-11-9(15)13-5-3-12(4-6-13)7-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15)
InChIKeyYMNUBFXCGDQUIH-UHFFFAOYSA-N
MW230.34 g/mol
LogP-1.02
Rot. Bonds3

About 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide

2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide (PubChem CID 2196319) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide
PubChem CID2196319
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide
SMILESCCNC(=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C9H18N4OS/c1-2-11-9(15)13-5-3-12(4-6-13)7-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15)
InChIKeyYMNUBFXCGDQUIH-UHFFFAOYSA-N
XLogP-1.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide (CID 2196319) is 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide is CCNC(=S)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide?
The InChIKey is YMNUBFXCGDQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-2-11-9(15)13-5-3-12(4-6-13)7-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15).
What are the key properties of 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide?
2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide has a molecular weight of 230.34 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).