1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine

C13H23N3S — CID 55021852

IUPAC1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3S/c1-3-11(14)13(12-5-4-10-17-12)16-8-6-15(2)7-9-16/h4-5,10-11,13H,3,6-9,14H2,1-2H3
InChIKeyRLARSNIZSGCUHK-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine

1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 55021852) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
PubChem CID55021852
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3S/c1-3-11(14)13(12-5-4-10-17-12)16-8-6-15(2)7-9-16/h4-5,10-11,13H,3,6-9,14H2,1-2H3
InChIKeyRLARSNIZSGCUHK-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine (CID 55021852) is 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is RLARSNIZSGCUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-11(14)13(12-5-4-10-17-12)16-8-6-15(2)7-9-16/h4-5,10-11,13H,3,6-9,14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine?
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55021852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).