2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride

C11H22ClNO3S — CID 117228045

IUPAC2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCCCS2(=O)=O)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-5-3-4-6-16(10,13)14;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyWPMMDDLNIBERCJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.49
Rot. Bonds2

About 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride

2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (PubChem CID 117228045) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
PubChem CID117228045
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCCCS2(=O)=O)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-5-3-4-6-16(10,13)14;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyWPMMDDLNIBERCJ-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The IUPAC name of 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (CID 117228045) is 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is CC1COC(C)(CC2CCCCS2(=O)=O)N1.Cl.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The InChIKey is WPMMDDLNIBERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-5-3-4-6-16(10,13)14;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 117228045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).