2-methylsulfanylfuran-3-amine

C5H7NOS — CID 134510998

IUPAC2-methylsulfanylfuran-3-amine
SMILESCSc1occc1N
InChIInChI=1S/C5H7NOS/c1-8-5-4(6)2-3-7-5/h2-3H,6H2,1H3
InChIKeyXFCNCMHXHCXYGM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.58
Rot. Bonds1

About 2-methylsulfanylfuran-3-amine

2-methylsulfanylfuran-3-amine (PubChem CID 134510998) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-methylsulfanylfuran-3-amine.

Molecular Properties

Compound Name2-methylsulfanylfuran-3-amine
PubChem CID134510998
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name2-methylsulfanylfuran-3-amine
SMILESCSc1occc1N
InChIInChI=1S/C5H7NOS/c1-8-5-4(6)2-3-7-5/h2-3H,6H2,1H3
InChIKeyXFCNCMHXHCXYGM-UHFFFAOYSA-N
XLogP1.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylfuran-3-amine?
The IUPAC name of 2-methylsulfanylfuran-3-amine (CID 134510998) is 2-methylsulfanylfuran-3-amine.
What is the SMILES notation for 2-methylsulfanylfuran-3-amine?
The canonical SMILES for 2-methylsulfanylfuran-3-amine is CSc1occc1N.
What is the InChIKey of 2-methylsulfanylfuran-3-amine?
The InChIKey is XFCNCMHXHCXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-8-5-4(6)2-3-7-5/h2-3H,6H2,1H3.
What are the key properties of 2-methylsulfanylfuran-3-amine?
2-methylsulfanylfuran-3-amine has a molecular weight of 129.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylfuran-3-amine is sourced from PubChem (CID 134510998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).