1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine

C11H18BrNS2 — CID 65132170

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS2/c1-8(2)14-7-9(13-3)6-10-4-5-11(12)15-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyGGBJYHVODKZFSO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.78
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65132170) has the molecular formula C11H18BrNS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65132170
Molecular FormulaC11H18BrNS2
Molecular Weight308.31 g/mol
Exact Mass307.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS2/c1-8(2)14-7-9(13-3)6-10-4-5-11(12)15-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyGGBJYHVODKZFSO-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834
1-(2-bromo-4-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131599

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine (CID 65132170) is 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine is CNC(CSC(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is GGBJYHVODKZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS2/c1-8(2)14-7-9(13-3)6-10-4-5-11(12)15-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 308.31 g/mol, XLogP of 3.78, 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)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65132170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).