1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine

C16H19BrFNS2 — CID 66071857

IUPAC1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS2/c1-2-8-19-13(10-15-6-7-16(17)21-15)11-20-14-5-3-4-12(18)9-14/h3-7,9,13,19H,2,8,10-11H2,1H3
InChIKeyRAIVCYSLQHYUCF-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.35
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine (PubChem CID 66071857) has the molecular formula C16H19BrFNS2 and a molecular weight of 388.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
PubChem CID66071857
Molecular FormulaC16H19BrFNS2
Molecular Weight388.37 g/mol
Exact Mass387.01
IUPAC Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrFNS2/c1-2-8-19-13(10-15-6-7-16(17)21-15)11-20-14-5-3-4-12(18)9-14/h3-7,9,13,19H,2,8,10-11H2,1H3
InChIKeyRAIVCYSLQHYUCF-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine (CID 66071857) is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine is CCCNC(CSc1cccc(F)c1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is RAIVCYSLQHYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS2/c1-2-8-19-13(10-15-6-7-16(17)21-15)11-20-14-5-3-4-12(18)9-14/h3-7,9,13,19H,2,8,10-11H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 388.37 g/mol, XLogP of 5.35, 8 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)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 66071857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).