[5-(benzenesulfinyl)thiophen-2-yl]methanamine

C11H11NOS2 — CID 130344864

IUPAC[5-(benzenesulfinyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NOS2/c12-8-9-6-7-11(14-9)15(13)10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyLQVWRPGLRAJNSL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.37
Rot. Bonds3

About [5-(benzenesulfinyl)thiophen-2-yl]methanamine

[5-(benzenesulfinyl)thiophen-2-yl]methanamine (PubChem CID 130344864) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is [5-(benzenesulfinyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(benzenesulfinyl)thiophen-2-yl]methanamine
PubChem CID130344864
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name[5-(benzenesulfinyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NOS2/c12-8-9-6-7-11(14-9)15(13)10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyLQVWRPGLRAJNSL-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfinyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(benzenesulfinyl)thiophen-2-yl]methanamine (CID 130344864) is [5-(benzenesulfinyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(benzenesulfinyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(benzenesulfinyl)thiophen-2-yl]methanamine is NCc1ccc(S(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfinyl)thiophen-2-yl]methanamine?
The InChIKey is LQVWRPGLRAJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c12-8-9-6-7-11(14-9)15(13)10-4-2-1-3-5-10/h1-7H,8,12H2.
What are the key properties of [5-(benzenesulfinyl)thiophen-2-yl]methanamine?
[5-(benzenesulfinyl)thiophen-2-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfinyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 130344864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).