1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine

C13H14BrNS2 — CID 55018154

IUPAC1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
SMILESCC(N)C(Sc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrNS2/c1-9(15)13(17-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2-9,13H,15H2,1H3
InChIKeyYAXYIMDNXHEWNP-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine

1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine (PubChem CID 55018154) has the molecular formula C13H14BrNS2 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
PubChem CID55018154
Molecular FormulaC13H14BrNS2
Molecular Weight328.30 g/mol
Exact Mass326.98
IUPAC Name1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
SMILESCC(N)C(Sc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrNS2/c1-9(15)13(17-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2-9,13H,15H2,1H3
InChIKeyYAXYIMDNXHEWNP-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-(3-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 55246981
3-[2-amino-1-(3-bromophenyl)propyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898250
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772
1-(3-bromophenyl)-1-(2-methylpropylsulfanyl)butan-2-amine
CID 55018251

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine (CID 55018154) is 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine is CC(N)C(Sc1cccs1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine?
The InChIKey is YAXYIMDNXHEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS2/c1-9(15)13(17-12-6-3-7-16-12)10-4-2-5-11(14)8-10/h2-9,13H,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine?
1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine has a molecular weight of 328.30 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 55018154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).