4-(4-acetylpiperazin-1-yl)butanethioamide

C10H19N3OS — CID 24700662

IUPAC4-(4-acetylpiperazin-1-yl)butanethioamide
SMILESCC(=O)N1CCN(CCCC(N)=S)CC1
InChIInChI=1S/C10H19N3OS/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3,(H2,11,15)
InChIKeyIXWYHBIPXNIQQZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.22
Rot. Bonds4

About 4-(4-acetylpiperazin-1-yl)butanethioamide

4-(4-acetylpiperazin-1-yl)butanethioamide (PubChem CID 24700662) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)butanethioamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)butanethioamide
PubChem CID24700662
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-(4-acetylpiperazin-1-yl)butanethioamide
SMILESCC(=O)N1CCN(CCCC(N)=S)CC1
InChIInChI=1S/C10H19N3OS/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3,(H2,11,15)
InChIKeyIXWYHBIPXNIQQZ-UHFFFAOYSA-N
XLogP0.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
4-[4-(cyclopropylmethyl)piperazin-1-yl]butanethioamide
CID 61441588
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 43290388
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
CID 54967141

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)butanethioamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)butanethioamide (CID 24700662) is 4-(4-acetylpiperazin-1-yl)butanethioamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)butanethioamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)butanethioamide is CC(=O)N1CCN(CCCC(N)=S)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)butanethioamide?
The InChIKey is IXWYHBIPXNIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3,(H2,11,15).
What are the key properties of 4-(4-acetylpiperazin-1-yl)butanethioamide?
4-(4-acetylpiperazin-1-yl)butanethioamide has a molecular weight of 229.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)butanethioamide is sourced from PubChem (CID 24700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).