1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine

C15H18BrNS2 — CID 65143756

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS2/c1-2-17-12(10-14-8-9-15(16)19-14)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3
InChIKeyCKURDHTZRJEFLB-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.82
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine (PubChem CID 65143756) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
PubChem CID65143756
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS2/c1-2-17-12(10-14-8-9-15(16)19-14)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3
InChIKeyCKURDHTZRJEFLB-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 115601848
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine (CID 65143756) is 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine is CCNC(CSc1ccccc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is CKURDHTZRJEFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-2-17-12(10-14-8-9-15(16)19-14)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 4.82, 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-ethyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 65143756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).