1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine

C12H20BrNO2S2 — CID 105152557

IUPAC1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNO2S2/c1-3-14-11(10-8-12(13)17-9-10)6-5-7-18(15,16)4-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyWKUZMKJVOAETQH-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.38
Rot. Bonds8

About 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine

1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine (PubChem CID 105152557) has the molecular formula C12H20BrNO2S2 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
PubChem CID105152557
Molecular FormulaC12H20BrNO2S2
Molecular Weight354.34 g/mol
Exact Mass353.01
IUPAC Name1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNO2S2/c1-3-14-11(10-8-12(13)17-9-10)6-5-7-18(15,16)4-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyWKUZMKJVOAETQH-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968354
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968353
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
CID 105028853
1-(5-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847
1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893798

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine (CID 105152557) is 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine is CCNC(CCCS(=O)(=O)CC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The InChIKey is WKUZMKJVOAETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2S2/c1-3-14-11(10-8-12(13)17-9-10)6-5-7-18(15,16)4-2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 105152557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).