2-(3-methylidenethiophen-1-yl)ethanamine

C7H11NS — CID 88520426

IUPAC2-(3-methylidenethiophen-1-yl)ethanamine
SMILESC=C1C=CS(CCN)=C1
InChIInChI=1S/C7H11NS/c1-7-2-4-9(6-7)5-3-8/h2,4,6H,1,3,5,8H2
InChIKeyIVTMJJPFSKJMKP-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.10
Rot. Bonds2

About 2-(3-methylidenethiophen-1-yl)ethanamine

2-(3-methylidenethiophen-1-yl)ethanamine (PubChem CID 88520426) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-(3-methylidenethiophen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylidenethiophen-1-yl)ethanamine
PubChem CID88520426
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-(3-methylidenethiophen-1-yl)ethanamine
SMILESC=C1C=CS(CCN)=C1
InChIInChI=1S/C7H11NS/c1-7-2-4-9(6-7)5-3-8/h2,4,6H,1,3,5,8H2
InChIKeyIVTMJJPFSKJMKP-UHFFFAOYSA-N
XLogP1.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenethiophen-1-yl)ethanamine?
The IUPAC name of 2-(3-methylidenethiophen-1-yl)ethanamine (CID 88520426) is 2-(3-methylidenethiophen-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylidenethiophen-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylidenethiophen-1-yl)ethanamine is C=C1C=CS(CCN)=C1.
What is the InChIKey of 2-(3-methylidenethiophen-1-yl)ethanamine?
The InChIKey is IVTMJJPFSKJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-7-2-4-9(6-7)5-3-8/h2,4,6H,1,3,5,8H2.
What are the key properties of 2-(3-methylidenethiophen-1-yl)ethanamine?
2-(3-methylidenethiophen-1-yl)ethanamine has a molecular weight of 141.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenethiophen-1-yl)ethanamine is sourced from PubChem (CID 88520426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).