5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide

C11H18N2OS — CID 123484869

IUPAC5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide
SMILESCC(CCCC(N)=O)SC1=NC=CCC1
InChIInChI=1S/C11H18N2OS/c1-9(5-4-6-10(12)14)15-11-7-2-3-8-13-11/h3,8-9H,2,4-7H2,1H3,(H2,12,14)
InChIKeyFTZBGPLUUQXREI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.47
Rot. Bonds5

About 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide

5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide (PubChem CID 123484869) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide.

Molecular Properties

Compound Name5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide
PubChem CID123484869
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide
SMILESCC(CCCC(N)=O)SC1=NC=CCC1
InChIInChI=1S/C11H18N2OS/c1-9(5-4-6-10(12)14)15-11-7-2-3-8-13-11/h3,8-9H,2,4-7H2,1H3,(H2,12,14)
InChIKeyFTZBGPLUUQXREI-UHFFFAOYSA-N
XLogP2.47
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide?
The IUPAC name of 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide (CID 123484869) is 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide.
What is the SMILES notation for 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide?
The canonical SMILES for 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide is CC(CCCC(N)=O)SC1=NC=CCC1.
What is the InChIKey of 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide?
The InChIKey is FTZBGPLUUQXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(5-4-6-10(12)14)15-11-7-2-3-8-13-11/h3,8-9H,2,4-7H2,1H3,(H2,12,14).
What are the key properties of 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide?
5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide has a molecular weight of 226.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide is sourced from PubChem (CID 123484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).