2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine

C14H15Br2NS2 — CID 79601725

IUPAC2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Br)c1cscc1Br
InChIInChI=1S/C14H15Br2NS2/c1-2-17-13(10-7-18-8-12(10)16)9-19-14-6-4-3-5-11(14)15/h3-8,13,17H,2,9H2,1H3
InChIKeyBPCNKMYHCVEUES-UHFFFAOYSA-N
MW421.22 g/mol
LogP5.72
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine

2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine (PubChem CID 79601725) has the molecular formula C14H15Br2NS2 and a molecular weight of 421.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
PubChem CID79601725
Molecular FormulaC14H15Br2NS2
Molecular Weight421.22 g/mol
Exact Mass418.90
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Br)c1cscc1Br
InChIInChI=1S/C14H15Br2NS2/c1-2-17-13(10-7-18-8-12(10)16)9-19-14-6-4-3-5-11(14)15/h3-8,13,17H,2,9H2,1H3
InChIKeyBPCNKMYHCVEUES-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.22
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-ethylethanamine
CID 66144476
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 66143893
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-bromophenyl)sulfanyl-N-ethylethanamine
CID 106462592
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
CID 130524690
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine (CID 79601725) is 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine is CCNC(CSc1ccccc1Br)c1cscc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is BPCNKMYHCVEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS2/c1-2-17-13(10-7-18-8-12(10)16)9-19-14-6-4-3-5-11(14)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine?
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 421.22 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 79601725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).