2-(4-acetylpiperazin-1-yl)ethanethioamide

C8H15N3OS — CID 24705741

IUPAC2-(4-acetylpiperazin-1-yl)ethanethioamide
SMILESCC(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C8H15N3OS/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13)
InChIKeyDYHQKCDHXMBJJV-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.56
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)ethanethioamide

2-(4-acetylpiperazin-1-yl)ethanethioamide (PubChem CID 24705741) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)ethanethioamide
PubChem CID24705741
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(4-acetylpiperazin-1-yl)ethanethioamide
SMILESCC(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C8H15N3OS/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13)
InChIKeyDYHQKCDHXMBJJV-UHFFFAOYSA-N
XLogP-0.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.56
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

2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 43290388
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
CID 63336059
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936
3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]propanamide
CID 63336166
3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-ethylpropanamide
CID 63336433
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
CID 63336256
2-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 55201182
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)ethanethioamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)ethanethioamide (CID 24705741) is 2-(4-acetylpiperazin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)ethanethioamide is CC(=O)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)ethanethioamide?
The InChIKey is DYHQKCDHXMBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13).
What are the key properties of 2-(4-acetylpiperazin-1-yl)ethanethioamide?
2-(4-acetylpiperazin-1-yl)ethanethioamide has a molecular weight of 201.29 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)ethanethioamide is sourced from PubChem (CID 24705741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).