1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine

C11H18BrNO2S2 — CID 102827406

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc(Br)c(C)s1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H18BrNO2S2/c1-7-8(12)6-9(16-7)10(13-4)11(2,3)17(5,14)15/h6,10,13H,1-5H3
InChIKeyGRIIRPDZAVFNJB-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine

1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine (PubChem CID 102827406) has the molecular formula C11H18BrNO2S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
PubChem CID102827406
Molecular FormulaC11H18BrNO2S2
Molecular Weight340.31 g/mol
Exact Mass339.00
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc(Br)c(C)s1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H18BrNO2S2/c1-7-8(12)6-9(16-7)10(13-4)11(2,3)17(5,14)15/h6,10,13H,1-5H3
InChIKeyGRIIRPDZAVFNJB-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 80532967
1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 102846187
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 81473129
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
CID 105045248
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 102827250

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine (CID 102827406) is 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine is CNC(c1cc(Br)c(C)s1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is GRIIRPDZAVFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S2/c1-7-8(12)6-9(16-7)10(13-4)11(2,3)17(5,14)15/h6,10,13H,1-5H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102827406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).