1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine

C11H18BrNS2 — CID 65128497

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1ccc(Br)s1)NC
InChIInChI=1S/C11H18BrNS2/c1-3-6-14-8-9(13-2)7-10-4-5-11(12)15-10/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyPEQXSABDSCAJMU-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.78
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128497) has the molecular formula C11H18BrNS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
PubChem CID65128497
Molecular FormulaC11H18BrNS2
Molecular Weight308.31 g/mol
Exact Mass307.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1ccc(Br)s1)NC
InChIInChI=1S/C11H18BrNS2/c1-3-6-14-8-9(13-2)7-10-4-5-11(12)15-10/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyPEQXSABDSCAJMU-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
[1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295733
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine (CID 65128497) is 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine is CCCSCC(Cc1ccc(Br)s1)NC.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine?
The InChIKey is PEQXSABDSCAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS2/c1-3-6-14-8-9(13-2)7-10-4-5-11(12)15-10/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine has a molecular weight of 308.31 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).