4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine

C12H21N3S — CID 67704352

IUPAC4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine
SMILESCCCNN1CCN(c2ccsc2C)CC1
InChIInChI=1S/C12H21N3S/c1-3-5-13-15-8-6-14(7-9-15)12-4-10-16-11(12)2/h4,10,13H,3,5-9H2,1-2H3
InChIKeyQCYLHFNQJCXDMI-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.09
Rot. Bonds4

About 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine

4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine (PubChem CID 67704352) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine
PubChem CID67704352
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine
SMILESCCCNN1CCN(c2ccsc2C)CC1
InChIInChI=1S/C12H21N3S/c1-3-5-13-15-8-6-14(7-9-15)12-4-10-16-11(12)2/h4,10,13H,3,5-9H2,1-2H3
InChIKeyQCYLHFNQJCXDMI-UHFFFAOYSA-N
XLogP2.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine?
The IUPAC name of 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine (CID 67704352) is 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine?
The canonical SMILES for 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine is CCCNN1CCN(c2ccsc2C)CC1.
What is the InChIKey of 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine?
The InChIKey is QCYLHFNQJCXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-5-13-15-8-6-14(7-9-15)12-4-10-16-11(12)2/h4,10,13H,3,5-9H2,1-2H3.
What are the key properties of 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine?
4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine is sourced from PubChem (CID 67704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).