1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

C16H23N3S2 — CID 63898183

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESCN1CCN(C)C(CNCc2cc(-c3cccs3)cs2)C1
InChIInChI=1S/C16H23N3S2/c1-18-5-6-19(2)14(11-18)9-17-10-15-8-13(12-21-15)16-4-3-7-20-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyMWUSZKYABJACSU-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.81
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (PubChem CID 63898183) has the molecular formula C16H23N3S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
PubChem CID63898183
Molecular FormulaC16H23N3S2
Molecular Weight321.51 g/mol
Exact Mass321.13
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESCN1CCN(C)C(CNCc2cc(-c3cccs3)cs2)C1
InChIInChI=1S/C16H23N3S2/c1-18-5-6-19(2)14(11-18)9-17-10-15-8-13(12-21-15)16-4-3-7-20-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyMWUSZKYABJACSU-UHFFFAOYSA-N
XLogP2.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine with MolForge

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Related Compounds

3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433717
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
CID 106252309
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 104626919

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (CID 63898183) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is CN1CCN(C)C(CNCc2cc(-c3cccs3)cs2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The InChIKey is MWUSZKYABJACSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S2/c1-18-5-6-19(2)14(11-18)9-17-10-15-8-13(12-21-15)16-4-3-7-20-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine has a molecular weight of 321.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 63898183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).