2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

C12H19BrN2S2 — CID 106444806

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CSCCN1C
InChIInChI=1S/C12H19BrN2S2/c1-14-11(6-10-5-9(13)7-17-10)12-8-16-4-3-15(12)2/h5,7,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyGWHKSDWTQUIFIF-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444806) has the molecular formula C12H19BrN2S2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444806
Molecular FormulaC12H19BrN2S2
Molecular Weight335.34 g/mol
Exact Mass334.02
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CSCCN1C
InChIInChI=1S/C12H19BrN2S2/c1-14-11(6-10-5-9(13)7-17-10)12-8-16-4-3-15(12)2/h5,7,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyGWHKSDWTQUIFIF-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
CID 106444879
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444806) is 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is CNC(Cc1cc(Br)cs1)C1CSCCN1C.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is GWHKSDWTQUIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S2/c1-14-11(6-10-5-9(13)7-17-10)12-8-16-4-3-15(12)2/h5,7,11-12,14H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 335.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).