1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

C15H27N3S — CID 63603653

IUPAC1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCN(C)C(C)(C)C2)s1
InChIInChI=1S/C15H27N3S/c1-11-6-7-13(19-11)14(12(2)16)18-9-8-17(5)15(3,4)10-18/h6-7,12,14H,8-10,16H2,1-5H3
InChIKeyFSUOXBWSMGEOLH-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.47
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 63603653) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
PubChem CID63603653
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCN(C)C(C)(C)C2)s1
InChIInChI=1S/C15H27N3S/c1-11-6-7-13(19-11)14(12(2)16)18-9-8-17(5)15(3,4)10-18/h6-7,12,14H,8-10,16H2,1-5H3
InChIKeyFSUOXBWSMGEOLH-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (CID 63603653) is 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CCN(C)C(C)(C)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is FSUOXBWSMGEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-6-7-13(19-11)14(12(2)16)18-9-8-17(5)15(3,4)10-18/h6-7,12,14H,8-10,16H2,1-5H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
1-(5-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-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 63603653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).