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

C13H17NO2S — CID 86076505

IUPAC2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC1CCOc2ccccc21
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17-12-7-8-16-11-6-4-3-5-10(11)12/h3-6,12H,7-9H2,1-2H3
InChIKeyFCEHZRQJFZMEKL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.33
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide (PubChem CID 86076505) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide
PubChem CID86076505
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC1CCOc2ccccc21
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17-12-7-8-16-11-6-4-3-5-10(11)12/h3-6,12H,7-9H2,1-2H3
InChIKeyFCEHZRQJFZMEKL-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
CID 57083074
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56792165
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
1-butan-2-ylsulfanyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769830
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide (CID 86076505) is 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide is CN(C)C(=O)CSC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide?
The InChIKey is FCEHZRQJFZMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14(2)13(15)9-17-12-7-8-16-11-6-4-3-5-10(11)12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide?
2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide is sourced from PubChem (CID 86076505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).