1-(4-methylthiophen-2-yl)prop-2-en-1-amine

C8H11NS — CID 55294447

IUPAC1-(4-methylthiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)cs1
InChIInChI=1S/C8H11NS/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3
InChIKeyBPDINKRPUHRTMB-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.24
Rot. Bonds2

About 1-(4-methylthiophen-2-yl)prop-2-en-1-amine

1-(4-methylthiophen-2-yl)prop-2-en-1-amine (PubChem CID 55294447) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)prop-2-en-1-amine
PubChem CID55294447
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-(4-methylthiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)cs1
InChIInChI=1S/C8H11NS/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3
InChIKeyBPDINKRPUHRTMB-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4-methylthiophen-2-yl)prop-2-en-1-amine (CID 55294447) is 1-(4-methylthiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-methylthiophen-2-yl)prop-2-en-1-amine is C=CC(N)c1cc(C)cs1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)prop-2-en-1-amine?
The InChIKey is BPDINKRPUHRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3.
What are the key properties of 1-(4-methylthiophen-2-yl)prop-2-en-1-amine?
1-(4-methylthiophen-2-yl)prop-2-en-1-amine has a molecular weight of 153.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 55294447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).