3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine

C12H21N3S — CID 67752364

IUPAC3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine
SMILESCc1sccc1N1CCN(CCCN)CC1
InChIInChI=1S/C12H21N3S/c1-11-12(3-10-16-11)15-8-6-14(7-9-15)5-2-4-13/h3,10H,2,4-9,13H2,1H3
InChIKeyDGXZZZBPOIZFBZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.53
Rot. Bonds4

About 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine

3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine (PubChem CID 67752364) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine
PubChem CID67752364
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine
SMILESCc1sccc1N1CCN(CCCN)CC1
InChIInChI=1S/C12H21N3S/c1-11-12(3-10-16-11)15-8-6-14(7-9-15)5-2-4-13/h3,10H,2,4-9,13H2,1H3
InChIKeyDGXZZZBPOIZFBZ-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine (CID 67752364) is 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine is Cc1sccc1N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is DGXZZZBPOIZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-11-12(3-10-16-11)15-8-6-14(7-9-15)5-2-4-13/h3,10H,2,4-9,13H2,1H3.
What are the key properties of 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine?
3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylthiophen-3-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 67752364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).