N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide

C10H13NOS2 — CID 21268840

IUPACN-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide
SMILESCCC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C10H13NOS2/c1-2-9(12)11-8-5-7-3-4-13-10(7)14-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12)
InChIKeyAZLBZDYZNGWBPI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.29
Rot. Bonds2

About N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide

N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide (PubChem CID 21268840) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide
PubChem CID21268840
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide
SMILESCCC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C10H13NOS2/c1-2-9(12)11-8-5-7-3-4-13-10(7)14-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12)
InChIKeyAZLBZDYZNGWBPI-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide?
The IUPAC name of N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide (CID 21268840) is N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide?
The canonical SMILES for N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide is CCC(=O)NC1CSc2sccc2C1.
What is the InChIKey of N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide?
The InChIKey is AZLBZDYZNGWBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-2-9(12)11-8-5-7-3-4-13-10(7)14-6-8/h3-4,8H,2,5-6H2,1H3,(H,11,12).
What are the key properties of N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide?
N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)propanamide is sourced from PubChem (CID 21268840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).