2H-thiopyran-4-carboxamide

C6H7NOS — CID 54388701

IUPAC2H-thiopyran-4-carboxamide
SMILESNC(=O)C1=CCSC=C1
InChIInChI=1S/C6H7NOS/c7-6(8)5-1-3-9-4-2-5/h1-3H,4H2,(H2,7,8)
InChIKeyVFBUILBTHZVBRT-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.66
Rot. Bonds1

About 2H-thiopyran-4-carboxamide

2H-thiopyran-4-carboxamide (PubChem CID 54388701) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2H-thiopyran-4-carboxamide.

Molecular Properties

Compound Name2H-thiopyran-4-carboxamide
PubChem CID54388701
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2H-thiopyran-4-carboxamide
SMILESNC(=O)C1=CCSC=C1
InChIInChI=1S/C6H7NOS/c7-6(8)5-1-3-9-4-2-5/h1-3H,4H2,(H2,7,8)
InChIKeyVFBUILBTHZVBRT-UHFFFAOYSA-N
XLogP0.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-4-carboxamide?
The IUPAC name of 2H-thiopyran-4-carboxamide (CID 54388701) is 2H-thiopyran-4-carboxamide.
What is the SMILES notation for 2H-thiopyran-4-carboxamide?
The canonical SMILES for 2H-thiopyran-4-carboxamide is NC(=O)C1=CCSC=C1.
What is the InChIKey of 2H-thiopyran-4-carboxamide?
The InChIKey is VFBUILBTHZVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c7-6(8)5-1-3-9-4-2-5/h1-3H,4H2,(H2,7,8).
What are the key properties of 2H-thiopyran-4-carboxamide?
2H-thiopyran-4-carboxamide has a molecular weight of 141.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-4-carboxamide is sourced from PubChem (CID 54388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).