5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine

C11H18BrN3S — CID 115230458

IUPAC5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
SMILESBrc1ccc(NCCCN2CCNCC2)s1
InChIInChI=1S/C11H18BrN3S/c12-10-2-3-11(16-10)14-4-1-7-15-8-5-13-6-9-15/h2-3,13-14H,1,4-9H2
InChIKeyQEYDVHCDRXXXBI-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.22
Rot. Bonds5

About 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine

5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine (PubChem CID 115230458) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
PubChem CID115230458
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
SMILESBrc1ccc(NCCCN2CCNCC2)s1
InChIInChI=1S/C11H18BrN3S/c12-10-2-3-11(16-10)14-4-1-7-15-8-5-13-6-9-15/h2-3,13-14H,1,4-9H2
InChIKeyQEYDVHCDRXXXBI-UHFFFAOYSA-N
XLogP2.22
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171663
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817
1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116939903
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
N-[(2-bromophenyl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230560
4-methylsulfonyl-N-(3-piperazin-1-ylpropyl)aniline
CID 43453302
3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
CID 82810071
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-5-bromothiophen-2-amine
CID 115214446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine?
The IUPAC name of 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine (CID 115230458) is 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine.
What is the SMILES notation for 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine?
The canonical SMILES for 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine is Brc1ccc(NCCCN2CCNCC2)s1.
What is the InChIKey of 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine?
The InChIKey is QEYDVHCDRXXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c12-10-2-3-11(16-10)14-4-1-7-15-8-5-13-6-9-15/h2-3,13-14H,1,4-9H2.
What are the key properties of 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine?
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine has a molecular weight of 304.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine is sourced from PubChem (CID 115230458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).