1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine

C11H12N2O2S2 — CID 82359917

IUPAC1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
SMILESNC(CS(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C11H12N2O2S2/c12-9(10-4-1-2-6-13-10)8-17(14,15)11-5-3-7-16-11/h1-7,9H,8,12H2
InChIKeyLKTPUCUPHGAMNQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.62
Rot. Bonds4

About 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine

1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine (PubChem CID 82359917) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
PubChem CID82359917
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
SMILESNC(CS(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C11H12N2O2S2/c12-9(10-4-1-2-6-13-10)8-17(14,15)11-5-3-7-16-11/h1-7,9H,8,12H2
InChIKeyLKTPUCUPHGAMNQ-UHFFFAOYSA-N
XLogP1.62
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine (CID 82359917) is 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine is NC(CS(=O)(=O)c1cccs1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is LKTPUCUPHGAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c12-9(10-4-1-2-6-13-10)8-17(14,15)11-5-3-7-16-11/h1-7,9H,8,12H2.
What are the key properties of 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine?
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 82359917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).