N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide

C14H24N4OS — CID 66387573

IUPACN-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCN1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-12(19)16-13-3-10-20-14(13)11-15-4-5-18-8-6-17(2)7-9-18/h3,10,15H,4-9,11H2,1-2H3,(H,16,19)
InChIKeyILEVLCQUWQNBGO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66387573) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66387573
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCN1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-12(19)16-13-3-10-20-14(13)11-15-4-5-18-8-6-17(2)7-9-18/h3,10,15H,4-9,11H2,1-2H3,(H,16,19)
InChIKeyILEVLCQUWQNBGO-UHFFFAOYSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]thiophen-3-yl]acetamide
CID 115674351
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575243

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide (CID 66387573) is N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCN1CCN(C)CC1.
What is the InChIKey of N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is ILEVLCQUWQNBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-12(19)16-13-3-10-20-14(13)11-15-4-5-18-8-6-17(2)7-9-18/h3,10,15H,4-9,11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).