3,4-dihydro-2H-thiopyran-4-carboxamide

C6H9NOS — CID 142877567

IUPAC3,4-dihydro-2H-thiopyran-4-carboxamide
SMILESNC(=O)C1C=CSCC1
InChIInChI=1S/C6H9NOS/c7-6(8)5-1-3-9-4-2-5/h1,3,5H,2,4H2,(H2,7,8)
InChIKeyUYQZUVUPLJTVBM-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds1

About 3,4-dihydro-2H-thiopyran-4-carboxamide

3,4-dihydro-2H-thiopyran-4-carboxamide (PubChem CID 142877567) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-4-carboxamide.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-4-carboxamide
PubChem CID142877567
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name3,4-dihydro-2H-thiopyran-4-carboxamide
SMILESNC(=O)C1C=CSCC1
InChIInChI=1S/C6H9NOS/c7-6(8)5-1-3-9-4-2-5/h1,3,5H,2,4H2,(H2,7,8)
InChIKeyUYQZUVUPLJTVBM-UHFFFAOYSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-4-carboxamide?
The IUPAC name of 3,4-dihydro-2H-thiopyran-4-carboxamide (CID 142877567) is 3,4-dihydro-2H-thiopyran-4-carboxamide.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-4-carboxamide?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-4-carboxamide is NC(=O)C1C=CSCC1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-4-carboxamide?
The InChIKey is UYQZUVUPLJTVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c7-6(8)5-1-3-9-4-2-5/h1,3,5H,2,4H2,(H2,7,8).
What are the key properties of 3,4-dihydro-2H-thiopyran-4-carboxamide?
3,4-dihydro-2H-thiopyran-4-carboxamide has a molecular weight of 143.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-4-carboxamide is sourced from PubChem (CID 142877567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).