1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine

C9H13Cl2NOS2 — CID 115720708

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCC(NCCS(C)=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NOS2/c1-6(12-3-4-15(2)13)7-5-8(10)14-9(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyBNYUYQGMLPEZTM-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine (PubChem CID 115720708) has the molecular formula C9H13Cl2NOS2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
PubChem CID115720708
Molecular FormulaC9H13Cl2NOS2
Molecular Weight286.25 g/mol
Exact Mass284.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCC(NCCS(C)=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NOS2/c1-6(12-3-4-15(2)13)7-5-8(10)14-9(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyBNYUYQGMLPEZTM-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348956
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
CID 115709946
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103775397
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181273
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine (CID 115720708) is 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine is CC(NCCS(C)=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine?
The InChIKey is BNYUYQGMLPEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NOS2/c1-6(12-3-4-15(2)13)7-5-8(10)14-9(7)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine has a molecular weight of 286.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine is sourced from PubChem (CID 115720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).