2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C12H24N4O2S — CID 63336209

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCN(CC(N)=S)CC1
InChIInChI=1S/C12H24N4O2S/c1-10(9-18-2)14-12(17)8-16-5-3-15(4-6-16)7-11(13)19/h10H,3-9H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyIEZAIIYFRSWTQH-UHFFFAOYSA-N
MW288.42 g/mol
LogP-0.96
Rot. Bonds7

About 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 63336209) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID63336209
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCN(CC(N)=S)CC1
InChIInChI=1S/C12H24N4O2S/c1-10(9-18-2)14-12(17)8-16-5-3-15(4-6-16)7-11(13)19/h10H,3-9H2,1-2H3,(H2,13,19)(H,14,17)
InChIKeyIEZAIIYFRSWTQH-UHFFFAOYSA-N
XLogP-0.96
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63341913
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
2-(3-aminoazetidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63761326
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488192
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 63336209) is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is IEZAIIYFRSWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-10(9-18-2)14-12(17)8-16-5-3-15(4-6-16)7-11(13)19/h10H,3-9H2,1-2H3,(H2,13,19)(H,14,17).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 288.42 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 63336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).