2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide

C12H22N4O2S — CID 43290388

IUPAC2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C12H22N4O2S/c1-10(17)16-7-5-15(6-8-16)9-12(18)14(2)4-3-11(13)19/h3-9H2,1-2H3,(H2,13,19)
InChIKeySQSURNCVCUECOO-UHFFFAOYSA-N
MW286.40 g/mol
LogP-0.71
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide

2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide (PubChem CID 43290388) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
PubChem CID43290388
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C12H22N4O2S/c1-10(17)16-7-5-15(6-8-16)9-12(18)14(2)4-3-11(13)19/h3-9H2,1-2H3,(H2,13,19)
InChIKeySQSURNCVCUECOO-UHFFFAOYSA-N
XLogP-0.71
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 43290460
N-(3-amino-3-sulfanylidenepropyl)-2-(4-butan-2-ylpiperazin-1-yl)-N-methylacetamide
CID 62772671
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
N-(3-amino-3-sulfanylidenepropyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylpropanamide
CID 43592093
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 65320420
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 62994125
N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
CID 62123382
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 61442468
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide (CID 43290388) is 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide is CC(=O)N1CCN(CC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide?
The InChIKey is SQSURNCVCUECOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(17)16-7-5-15(6-8-16)9-12(18)14(2)4-3-11(13)19/h3-9H2,1-2H3,(H2,13,19).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide?
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide has a molecular weight of 286.40 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide is sourced from PubChem (CID 43290388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).