methanamine;3-thiophen-3-ylaniline

C11H14N2S — CID 144770494

IUPACmethanamine;3-thiophen-3-ylaniline
SMILESCN.Nc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H9NS.CH5N/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;1-2/h1-7H,11H2;2H2,1H3
InChIKeyIRNINZNLFPOXJX-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.57
Rot. Bonds1

About methanamine;3-thiophen-3-ylaniline

methanamine;3-thiophen-3-ylaniline (PubChem CID 144770494) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is methanamine;3-thiophen-3-ylaniline.

Molecular Properties

Compound Namemethanamine;3-thiophen-3-ylaniline
PubChem CID144770494
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Namemethanamine;3-thiophen-3-ylaniline
SMILESCN.Nc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H9NS.CH5N/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;1-2/h1-7H,11H2;2H2,1H3
InChIKeyIRNINZNLFPOXJX-UHFFFAOYSA-N
XLogP2.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;3-thiophen-3-ylaniline?
The IUPAC name of methanamine;3-thiophen-3-ylaniline (CID 144770494) is methanamine;3-thiophen-3-ylaniline.
What is the SMILES notation for methanamine;3-thiophen-3-ylaniline?
The canonical SMILES for methanamine;3-thiophen-3-ylaniline is CN.Nc1cccc(-c2ccsc2)c1.
What is the InChIKey of methanamine;3-thiophen-3-ylaniline?
The InChIKey is IRNINZNLFPOXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.CH5N/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;1-2/h1-7H,11H2;2H2,1H3.
What are the key properties of methanamine;3-thiophen-3-ylaniline?
methanamine;3-thiophen-3-ylaniline has a molecular weight of 206.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-thiophen-3-ylaniline is sourced from PubChem (CID 144770494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).