4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

C12H17NO2S3 — CID 104986246

IUPAC4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc2sccc2s1
InChIInChI=1S/C12H17NO2S3/c1-2-18(14,15)7-3-4-9(13)11-8-12-10(17-11)5-6-16-12/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyKWKKFUXGQAYFDL-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.18
Rot. Bonds6

About 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (PubChem CID 104986246) has the molecular formula C12H17NO2S3 and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
PubChem CID104986246
Molecular FormulaC12H17NO2S3
Molecular Weight303.47 g/mol
Exact Mass303.04
IUPAC Name4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc2sccc2s1
InChIInChI=1S/C12H17NO2S3/c1-2-18(14,15)7-3-4-9(13)11-8-12-10(17-11)5-6-16-12/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyKWKKFUXGQAYFDL-UHFFFAOYSA-N
XLogP3.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (CID 104986246) is 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1cc2sccc2s1.
What is the InChIKey of 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The InChIKey is KWKKFUXGQAYFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S3/c1-2-18(14,15)7-3-4-9(13)11-8-12-10(17-11)5-6-16-12/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is sourced from PubChem (CID 104986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).