2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane

C10H13NO2S — CID 164866947

IUPAC2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc2c(c1)OCC2
InChIInChI=1S/C10H13NO2S/c1-11-14(2,12)9-4-3-8-5-6-13-10(8)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeySRMMRHSXLDWNGZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.71
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane

2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 164866947) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane
PubChem CID164866947
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc2c(c1)OCC2
InChIInChI=1S/C10H13NO2S/c1-11-14(2,12)9-4-3-8-5-6-13-10(8)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeySRMMRHSXLDWNGZ-UHFFFAOYSA-N
XLogP1.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
6-isocyanato-2,3-dihydro-1-benzofuran
CID 83914245
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide
CID 121461171
5-[(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 166236413
6-(2-isocyanatopropan-2-yl)-2,3-dihydro-1-benzofuran
CID 105455223
2-[(3S)-1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)pyrrolidin-3-yl]oxyacetic acid
CID 166279474
[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-oxo-propan-2-ylimino-λ6-sulfane
CID 142414088

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane (CID 164866947) is 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)c1ccc2c(c1)OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is SRMMRHSXLDWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11-14(2,12)9-4-3-8-5-6-13-10(8)7-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane?
2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 211.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 164866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).