1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine

C15H18BrNS2 — CID 66143893

IUPAC1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C15H18BrNS2/c1-2-17-13(9-12-7-8-18-10-12)11-19-15-6-4-3-5-14(15)16/h3-8,10,13,17H,2,9,11H2,1H3
InChIKeyDXZKXLWIBGTUBF-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.82
Rot. Bonds7

About 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine

1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66143893) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66143893
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC Name1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C15H18BrNS2/c1-2-17-13(9-12-7-8-18-10-12)11-19-15-6-4-3-5-14(15)16/h3-8,10,13,17H,2,9,11H2,1H3
InChIKeyDXZKXLWIBGTUBF-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

N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 66145067
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
CID 79601725
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine (CID 66143893) is 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine is CCNC(CSc1ccccc1Br)Cc1ccsc1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is DXZKXLWIBGTUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-2-17-13(9-12-7-8-18-10-12)11-19-15-6-4-3-5-14(15)16/h3-8,10,13,17H,2,9,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-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-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66143893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).