1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine

C9H14BrNO2S2 — CID 115848103

IUPAC1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO2S2/c1-11-8(4-6-15(2,12)13)9-7(10)3-5-14-9/h3,5,8,11H,4,6H2,1-2H3
InChIKeyPEXWFYCXBOOYJS-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.21
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine

1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 115848103) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
PubChem CID115848103
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO2S2/c1-11-8(4-6-15(2,12)13)9-7(10)3-5-14-9/h3,5,8,11H,4,6H2,1-2H3
InChIKeyPEXWFYCXBOOYJS-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
CID 104987232
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984363
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(2,4-dibromophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114019233
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine (CID 115848103) is 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine is CNC(CCS(C)(=O)=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is PEXWFYCXBOOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-11-8(4-6-15(2,12)13)9-7(10)3-5-14-9/h3,5,8,11H,4,6H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).