1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine

C13H15NO3S2 — CID 64645393

IUPAC1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-17-11-6-4-10(5-7-11)12(14)9-19(15,16)13-3-2-8-18-13/h2-8,12H,9,14H2,1H3
InChIKeySEOFYKOGXNRQKH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine

1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine (PubChem CID 64645393) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
PubChem CID64645393
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-17-11-6-4-10(5-7-11)12(14)9-19(15,16)13-3-2-8-18-13/h2-8,12H,9,14H2,1H3
InChIKeySEOFYKOGXNRQKH-UHFFFAOYSA-N
XLogP2.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64647191
2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
CID 82359917
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine (CID 64645393) is 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine is COc1ccc(C(N)CS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is SEOFYKOGXNRQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-17-11-6-4-10(5-7-11)12(14)9-19(15,16)13-3-2-8-18-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine?
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 297.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 64645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).