1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine

C15H17BrFNS2 — CID 66066895

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrFNS2/c1-2-18-12(9-14-7-8-15(16)20-14)10-19-13-5-3-11(17)4-6-13/h3-8,12,18H,2,9-10H2,1H3
InChIKeyCYPSGUCMYKAGBC-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.96
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 66066895) has the molecular formula C15H17BrFNS2 and a molecular weight of 374.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
PubChem CID66066895
Molecular FormulaC15H17BrFNS2
Molecular Weight374.34 g/mol
Exact Mass373.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrFNS2/c1-2-18-12(9-14-7-8-15(16)20-14)10-19-13-5-3-11(17)4-6-13/h3-8,12,18H,2,9-10H2,1H3
InChIKeyCYPSGUCMYKAGBC-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
CID 66070783
N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
CID 66073273
1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 115601848
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine (CID 66066895) is 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine is CCNC(CSc1ccc(F)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is CYPSGUCMYKAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS2/c1-2-18-12(9-14-7-8-15(16)20-14)10-19-13-5-3-11(17)4-6-13/h3-8,12,18H,2,9-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 374.34 g/mol, XLogP of 4.96, 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-(4-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66066895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).