1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

C15H27N3S — CID 63603317

IUPAC1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H27N3S/c1-11-6-9-19-14(11)13(12(2)16)18-8-7-17(5)15(3,4)10-18/h6,9,12-13H,7-8,10,16H2,1-5H3
InChIKeyGDNGTGDCOLBCII-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 63603317) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
PubChem CID63603317
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H27N3S/c1-11-6-9-19-14(11)13(12(2)16)18-8-7-17(5)15(3,4)10-18/h6,9,12-13H,7-8,10,16H2,1-5H3
InChIKeyGDNGTGDCOLBCII-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-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-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (CID 63603317) is 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is Cc1ccsc1C(C(C)N)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is GDNGTGDCOLBCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-6-9-19-14(11)13(12(2)16)18-8-7-17(5)15(3,4)10-18/h6,9,12-13H,7-8,10,16H2,1-5H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 63603317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).