2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide

C12H17NO2S — CID 71933541

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C12H17NO2S/c1-2-5-13-11(14)8-10-12-9(3-6-15-10)4-7-16-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyJMKFDONXNAUMRC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds4

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide (PubChem CID 71933541) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide
PubChem CID71933541
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C12H17NO2S/c1-2-5-13-11(14)8-10-12-9(3-6-15-10)4-7-16-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyJMKFDONXNAUMRC-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide (CID 71933541) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide is CCCNC(=O)CC1OCCc2ccsc21.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide?
The InChIKey is JMKFDONXNAUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-5-13-11(14)8-10-12-9(3-6-15-10)4-7-16-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide has a molecular weight of 239.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-propylacetamide is sourced from PubChem (CID 71933541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).