3-thiophen-1-ylidenepropan-1-amine

C7H11NS — CID 57061071

IUPAC3-thiophen-1-ylidenepropan-1-amine
SMILESNCCC=S1C=CC=C1
InChIInChI=1S/C7H11NS/c8-4-3-7-9-5-1-2-6-9/h1-2,5-7H,3-4,8H2
InChIKeyVDBBCHDMBBNZLL-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.45
Rot. Bonds2

About 3-thiophen-1-ylidenepropan-1-amine

3-thiophen-1-ylidenepropan-1-amine (PubChem CID 57061071) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-thiophen-1-ylidenepropan-1-amine.

Molecular Properties

Compound Name3-thiophen-1-ylidenepropan-1-amine
PubChem CID57061071
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-thiophen-1-ylidenepropan-1-amine
SMILESNCCC=S1C=CC=C1
InChIInChI=1S/C7H11NS/c8-4-3-7-9-5-1-2-6-9/h1-2,5-7H,3-4,8H2
InChIKeyVDBBCHDMBBNZLL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-1-ylidenepropan-1-amine?
The IUPAC name of 3-thiophen-1-ylidenepropan-1-amine (CID 57061071) is 3-thiophen-1-ylidenepropan-1-amine.
What is the SMILES notation for 3-thiophen-1-ylidenepropan-1-amine?
The canonical SMILES for 3-thiophen-1-ylidenepropan-1-amine is NCCC=S1C=CC=C1.
What is the InChIKey of 3-thiophen-1-ylidenepropan-1-amine?
The InChIKey is VDBBCHDMBBNZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c8-4-3-7-9-5-1-2-6-9/h1-2,5-7H,3-4,8H2.
What are the key properties of 3-thiophen-1-ylidenepropan-1-amine?
3-thiophen-1-ylidenepropan-1-amine has a molecular weight of 141.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-1-ylidenepropan-1-amine is sourced from PubChem (CID 57061071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).