5-methylsulfonyl-3,4-dihydro-2H-pyran

C6H10O3S — CID 132579852

IUPAC5-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1=COCCC1
InChIInChI=1S/C6H10O3S/c1-10(7,8)6-3-2-4-9-5-6/h5H,2-4H2,1H3
InChIKeyRLSTYDOCZKMZPQ-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.68
Rot. Bonds1

About 5-methylsulfonyl-3,4-dihydro-2H-pyran

5-methylsulfonyl-3,4-dihydro-2H-pyran (PubChem CID 132579852) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-methylsulfonyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methylsulfonyl-3,4-dihydro-2H-pyran
PubChem CID132579852
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1=COCCC1
InChIInChI=1S/C6H10O3S/c1-10(7,8)6-3-2-4-9-5-6/h5H,2-4H2,1H3
InChIKeyRLSTYDOCZKMZPQ-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
CID 114865258
1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
CID 130580033
1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566550
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
CID 84717977
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfanylethyl]hydrazine
CID 105213767
azetidin-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 131084146
1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
CID 116562949
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554979
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
4,5-dimethyl-1-methylsulfonylcyclohexa-1,3-diene
CID 122541980

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-methylsulfonyl-3,4-dihydro-2H-pyran (CID 132579852) is 5-methylsulfonyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-methylsulfonyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-methylsulfonyl-3,4-dihydro-2H-pyran is CS(=O)(=O)C1=COCCC1.
What is the InChIKey of 5-methylsulfonyl-3,4-dihydro-2H-pyran?
The InChIKey is RLSTYDOCZKMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-10(7,8)6-3-2-4-9-5-6/h5H,2-4H2,1H3.
What are the key properties of 5-methylsulfonyl-3,4-dihydro-2H-pyran?
5-methylsulfonyl-3,4-dihydro-2H-pyran has a molecular weight of 162.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 132579852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).