1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine

C12H13NO2S2 — CID 155565133

IUPAC1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c1-9(13)11-7-8-12(16-11)17(14,15)10-5-3-2-4-6-10/h2-9H,13H2,1H3
InChIKeyNPVKJULXEDELEE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.60
Rot. Bonds3

About 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine

1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine (PubChem CID 155565133) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine
PubChem CID155565133
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c1-9(13)11-7-8-12(16-11)17(14,15)10-5-3-2-4-6-10/h2-9H,13H2,1H3
InChIKeyNPVKJULXEDELEE-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine (CID 155565133) is 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine is CC(N)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine?
The InChIKey is NPVKJULXEDELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-9(13)11-7-8-12(16-11)17(14,15)10-5-3-2-4-6-10/h2-9H,13H2,1H3.
What are the key properties of 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine?
1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 155565133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).