2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C17H21N3O2S2 — CID 9054927

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S2/c1-18(11-14-4-10-23-13-14)12-16(21)19-5-7-20(8-6-19)17(22)15-3-2-9-24-15/h2-4,9-10,13H,5-8,11-12H2,1H3
InChIKeyMYUSRRNLYXPFOK-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.23
Rot. Bonds5

About 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 9054927) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID9054927
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S2/c1-18(11-14-4-10-23-13-14)12-16(21)19-5-7-20(8-6-19)17(22)15-3-2-9-24-15/h2-4,9-10,13H,5-8,11-12H2,1H3
InChIKeyMYUSRRNLYXPFOK-UHFFFAOYSA-N
XLogP2.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8709155
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8676266
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8552435
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 131916793
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 9054927) is 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MYUSRRNLYXPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-18(11-14-4-10-23-13-14)12-16(21)19-5-7-20(8-6-19)17(22)15-3-2-9-24-15/h2-4,9-10,13H,5-8,11-12H2,1H3.
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9054927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).