1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine

C10H15Br2NO2S2 — CID 107968351

IUPAC1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-2-17(14,15)5-3-4-8(13)7-6-9(11)16-10(7)12/h6,8H,2-5,13H2,1H3
InChIKeyKKGUIUQGOYPIEE-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.49
Rot. Bonds6

About 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine

1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine (PubChem CID 107968351) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
PubChem CID107968351
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-2-17(14,15)5-3-4-8(13)7-6-9(11)16-10(7)12/h6,8H,2-5,13H2,1H3
InChIKeyKKGUIUQGOYPIEE-UHFFFAOYSA-N
XLogP3.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968354
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-(5-bromo-2-fluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 114894612
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
CID 43167403
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine (CID 107968351) is 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine?
The InChIKey is KKGUIUQGOYPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-2-17(14,15)5-3-4-8(13)7-6-9(11)16-10(7)12/h6,8H,2-5,13H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine?
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine has a molecular weight of 405.18 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 107968351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).