N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide

C15H21NO2S — CID 145138095

IUPACN-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NSc1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2S/c1-11(2)8-9-14(17)16-19-13-7-3-5-12-6-4-10-18-15(12)13/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,16,17)
InChIKeyWUVGFIZQQBYERM-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.57
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide

N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide (PubChem CID 145138095) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
PubChem CID145138095
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NSc1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2S/c1-11(2)8-9-14(17)16-19-13-7-3-5-12-6-4-10-18-15(12)13/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,16,17)
InChIKeyWUVGFIZQQBYERM-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide (CID 145138095) is N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide is CC(C)CCC(=O)NSc1cccc2c1OCCC2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide?
The InChIKey is WUVGFIZQQBYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(2)8-9-14(17)16-19-13-7-3-5-12-6-4-10-18-15(12)13/h3,5,7,11H,4,6,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide?
N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide has a molecular weight of 279.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide is sourced from PubChem (CID 145138095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).