4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine

C6H13NO3S — CID 110740691

IUPAC4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine
SMILESCC1(C)COCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(2)4-10-5-7(6)11(3,8)9/h4-5H2,1-3H3
InChIKeyKGNVUONMSDTEPZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.01
Rot. Bonds1

About 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine

4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine (PubChem CID 110740691) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine
PubChem CID110740691
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine
SMILESCC1(C)COCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-6(2)4-10-5-7(6)11(3,8)9/h4-5H2,1-3H3
InChIKeyKGNVUONMSDTEPZ-UHFFFAOYSA-N
XLogP0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine (CID 110740691) is 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine is CC1(C)COCN1S(C)(=O)=O.
What is the InChIKey of 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine?
The InChIKey is KGNVUONMSDTEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(2)4-10-5-7(6)11(3,8)9/h4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine?
4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine has a molecular weight of 179.24 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).