2,3-dihydrothiophene-2-carboxamide

C5H7NOS — CID 18423725

IUPAC2,3-dihydrothiophene-2-carboxamide
SMILESNC(=O)C1CC=CS1
InChIInChI=1S/C5H7NOS/c6-5(7)4-2-1-3-8-4/h1,3-4H,2H2,(H2,6,7)
InChIKeyATLRXACMLUSNPG-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.49
Rot. Bonds1

About 2,3-dihydrothiophene-2-carboxamide

2,3-dihydrothiophene-2-carboxamide (PubChem CID 18423725) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 2,3-dihydrothiophene-2-carboxamide.

Molecular Properties

Compound Name2,3-dihydrothiophene-2-carboxamide
PubChem CID18423725
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name2,3-dihydrothiophene-2-carboxamide
SMILESNC(=O)C1CC=CS1
InChIInChI=1S/C5H7NOS/c6-5(7)4-2-1-3-8-4/h1,3-4H,2H2,(H2,6,7)
InChIKeyATLRXACMLUSNPG-UHFFFAOYSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophene-2-carboxamide?
The IUPAC name of 2,3-dihydrothiophene-2-carboxamide (CID 18423725) is 2,3-dihydrothiophene-2-carboxamide.
What is the SMILES notation for 2,3-dihydrothiophene-2-carboxamide?
The canonical SMILES for 2,3-dihydrothiophene-2-carboxamide is NC(=O)C1CC=CS1.
What is the InChIKey of 2,3-dihydrothiophene-2-carboxamide?
The InChIKey is ATLRXACMLUSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c6-5(7)4-2-1-3-8-4/h1,3-4H,2H2,(H2,6,7).
What are the key properties of 2,3-dihydrothiophene-2-carboxamide?
2,3-dihydrothiophene-2-carboxamide has a molecular weight of 129.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophene-2-carboxamide is sourced from PubChem (CID 18423725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).