2-(4-methylidenethiophen-3-yl)ethanamine

C7H11NS — CID 70353652

IUPAC2-(4-methylidenethiophen-3-yl)ethanamine
SMILESC=C1CSC=C1CCN
InChIInChI=1S/C7H11NS/c1-6-4-9-5-7(6)2-3-8/h5H,1-4,8H2
InChIKeyUJXCCRBYGBEPSM-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.52
Rot. Bonds2

About 2-(4-methylidenethiophen-3-yl)ethanamine

2-(4-methylidenethiophen-3-yl)ethanamine (PubChem CID 70353652) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-(4-methylidenethiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylidenethiophen-3-yl)ethanamine
PubChem CID70353652
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-(4-methylidenethiophen-3-yl)ethanamine
SMILESC=C1CSC=C1CCN
InChIInChI=1S/C7H11NS/c1-6-4-9-5-7(6)2-3-8/h5H,1-4,8H2
InChIKeyUJXCCRBYGBEPSM-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenethiophen-3-yl)ethanamine?
The IUPAC name of 2-(4-methylidenethiophen-3-yl)ethanamine (CID 70353652) is 2-(4-methylidenethiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylidenethiophen-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylidenethiophen-3-yl)ethanamine is C=C1CSC=C1CCN.
What is the InChIKey of 2-(4-methylidenethiophen-3-yl)ethanamine?
The InChIKey is UJXCCRBYGBEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-4-9-5-7(6)2-3-8/h5H,1-4,8H2.
What are the key properties of 2-(4-methylidenethiophen-3-yl)ethanamine?
2-(4-methylidenethiophen-3-yl)ethanamine has a molecular weight of 141.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenethiophen-3-yl)ethanamine is sourced from PubChem (CID 70353652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).