2-methylidene-3H-thiophen-3-amine

C5H7NS — CID 89104276

IUPAC2-methylidene-3H-thiophen-3-amine
SMILESC=C1SC=CC1N
InChIInChI=1S/C5H7NS/c1-4-5(6)2-3-7-4/h2-3,5H,1,6H2
InChIKeyHHUAEJNKFSJZQR-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.09
Rot. Bonds

About 2-methylidene-3H-thiophen-3-amine

2-methylidene-3H-thiophen-3-amine (PubChem CID 89104276) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2-methylidene-3H-thiophen-3-amine.

Molecular Properties

Compound Name2-methylidene-3H-thiophen-3-amine
PubChem CID89104276
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2-methylidene-3H-thiophen-3-amine
SMILESC=C1SC=CC1N
InChIInChI=1S/C5H7NS/c1-4-5(6)2-3-7-4/h2-3,5H,1,6H2
InChIKeyHHUAEJNKFSJZQR-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-thiophen-3-amine?
The IUPAC name of 2-methylidene-3H-thiophen-3-amine (CID 89104276) is 2-methylidene-3H-thiophen-3-amine.
What is the SMILES notation for 2-methylidene-3H-thiophen-3-amine?
The canonical SMILES for 2-methylidene-3H-thiophen-3-amine is C=C1SC=CC1N.
What is the InChIKey of 2-methylidene-3H-thiophen-3-amine?
The InChIKey is HHUAEJNKFSJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-5(6)2-3-7-4/h2-3,5H,1,6H2.
What are the key properties of 2-methylidene-3H-thiophen-3-amine?
2-methylidene-3H-thiophen-3-amine has a molecular weight of 113.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-thiophen-3-amine is sourced from PubChem (CID 89104276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).