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

C14H15BrFNS2 — CID 66053278

IUPAC1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS2/c1-17-10(8-11-6-7-14(15)19-11)9-18-13-5-3-2-4-12(13)16/h2-7,10,17H,8-9H2,1H3
InChIKeyITFFORGKHDXMAM-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.57
Rot. Bonds6

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

1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66053278) has the molecular formula C14H15BrFNS2 and a molecular weight of 360.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66053278
Molecular FormulaC14H15BrFNS2
Molecular Weight360.32 g/mol
Exact Mass358.98
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS2/c1-17-10(8-11-6-7-14(15)19-11)9-18-13-5-3-2-4-12(13)16/h2-7,10,17H,8-9H2,1H3
InChIKeyITFFORGKHDXMAM-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(2-fluorophenyl)sulfanyl-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 66053856
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 66053278) is 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1F)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is ITFFORGKHDXMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS2/c1-17-10(8-11-6-7-14(15)19-11)9-18-13-5-3-2-4-12(13)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 360.32 g/mol, XLogP of 4.57, 6 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-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66053278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).