3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone

C15H18O4S — CID 104518109

IUPAC3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18O4S/c16-15(14-5-1-2-9-20(14,17)18)12-6-7-13-11(10-12)4-3-8-19-13/h6-7,10,14H,1-5,8-9H2
InChIKeyRNAVGNYYMKXYSY-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.16
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone

3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone (PubChem CID 104518109) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone
PubChem CID104518109
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18O4S/c16-15(14-5-1-2-9-20(14,17)18)12-6-7-13-11(10-12)4-3-8-19-13/h6-7,10,14H,1-5,8-9H2
InChIKeyRNAVGNYYMKXYSY-UHFFFAOYSA-N
XLogP2.16
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone
CID 115811367
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone (CID 104518109) is 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone is O=C(c1ccc2c(c1)CCCO2)C1CCCCS1(=O)=O.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone?
The InChIKey is RNAVGNYYMKXYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c16-15(14-5-1-2-9-20(14,17)18)12-6-7-13-11(10-12)4-3-8-19-13/h6-7,10,14H,1-5,8-9H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone?
3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone has a molecular weight of 294.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone is sourced from PubChem (CID 104518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).