N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide

C15H17NO2S — CID 142934193

IUPACN-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide
SMILESCC1=CCC=C(CNC(=O)CSc2ccccc2)O1
InChIInChI=1S/C15H17NO2S/c1-12-6-5-7-13(18-12)10-16-15(17)11-19-14-8-3-2-4-9-14/h2-4,6-9H,5,10-11H2,1H3,(H,16,17)
InChIKeyFBTNFKIHRWBDFV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.10
Rot. Bonds5

About N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide

N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide (PubChem CID 142934193) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide
PubChem CID142934193
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide
SMILESCC1=CCC=C(CNC(=O)CSc2ccccc2)O1
InChIInChI=1S/C15H17NO2S/c1-12-6-5-7-13(18-12)10-16-15(17)11-19-14-8-3-2-4-9-14/h2-4,6-9H,5,10-11H2,1H3,(H,16,17)
InChIKeyFBTNFKIHRWBDFV-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide (CID 142934193) is N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide is CC1=CCC=C(CNC(=O)CSc2ccccc2)O1.
What is the InChIKey of N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is FBTNFKIHRWBDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-6-5-7-13(18-12)10-16-15(17)11-19-14-8-3-2-4-9-14/h2-4,6-9H,5,10-11H2,1H3,(H,16,17).
What are the key properties of N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide?
N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 142934193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).