1-oxo-2,3-dihydrothiophen-3-amine

C4H7NOS — CID 67101456

IUPAC1-oxo-2,3-dihydrothiophen-3-amine
SMILESNC1C=CS(=O)C1
InChIInChI=1S/C4H7NOS/c5-4-1-2-7(6)3-4/h1-2,4H,3,5H2
InChIKeyXWRYYSRXVWQGME-UHFFFAOYSA-N
MW117.17 g/mol
LogP-0.41
Rot. Bonds

About 1-oxo-2,3-dihydrothiophen-3-amine

1-oxo-2,3-dihydrothiophen-3-amine (PubChem CID 67101456) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-oxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1-oxo-2,3-dihydrothiophen-3-amine
PubChem CID67101456
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name1-oxo-2,3-dihydrothiophen-3-amine
SMILESNC1C=CS(=O)C1
InChIInChI=1S/C4H7NOS/c5-4-1-2-7(6)3-4/h1-2,4H,3,5H2
InChIKeyXWRYYSRXVWQGME-UHFFFAOYSA-N
XLogP-0.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1-oxo-2,3-dihydrothiophen-3-amine (CID 67101456) is 1-oxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1-oxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1-oxo-2,3-dihydrothiophen-3-amine is NC1C=CS(=O)C1.
What is the InChIKey of 1-oxo-2,3-dihydrothiophen-3-amine?
The InChIKey is XWRYYSRXVWQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c5-4-1-2-7(6)3-4/h1-2,4H,3,5H2.
What are the key properties of 1-oxo-2,3-dihydrothiophen-3-amine?
1-oxo-2,3-dihydrothiophen-3-amine has a molecular weight of 117.17 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 67101456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).