2-prop-2-enylthiophen-3-amine

C7H9NS — CID 66908193

IUPAC2-prop-2-enylthiophen-3-amine
SMILESC=CCc1sccc1N
InChIInChI=1S/C7H9NS/c1-2-3-7-6(8)4-5-9-7/h2,4-5H,1,3,8H2
InChIKeyILPGWXUCVPRKDO-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.06
Rot. Bonds2

About 2-prop-2-enylthiophen-3-amine

2-prop-2-enylthiophen-3-amine (PubChem CID 66908193) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-prop-2-enylthiophen-3-amine.

Molecular Properties

Compound Name2-prop-2-enylthiophen-3-amine
PubChem CID66908193
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name2-prop-2-enylthiophen-3-amine
SMILESC=CCc1sccc1N
InChIInChI=1S/C7H9NS/c1-2-3-7-6(8)4-5-9-7/h2,4-5H,1,3,8H2
InChIKeyILPGWXUCVPRKDO-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.06
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 2-prop-2-enylthiophen-3-amine?
The IUPAC name of 2-prop-2-enylthiophen-3-amine (CID 66908193) is 2-prop-2-enylthiophen-3-amine.
What is the SMILES notation for 2-prop-2-enylthiophen-3-amine?
The canonical SMILES for 2-prop-2-enylthiophen-3-amine is C=CCc1sccc1N.
What is the InChIKey of 2-prop-2-enylthiophen-3-amine?
The InChIKey is ILPGWXUCVPRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-3-7-6(8)4-5-9-7/h2,4-5H,1,3,8H2.
What are the key properties of 2-prop-2-enylthiophen-3-amine?
2-prop-2-enylthiophen-3-amine has a molecular weight of 139.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylthiophen-3-amine is sourced from PubChem (CID 66908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).