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

C11H22ClNO3S — CID 117227765

IUPAC4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCS(=O)(=O)CC2)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-3-5-16(13,14)6-4-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyJMADFGGARGKVSH-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.35
Rot. Bonds2

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

4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (PubChem CID 117227765) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
PubChem CID117227765
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCS(=O)(=O)CC2)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-3-5-16(13,14)6-4-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyJMADFGGARGKVSH-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228101
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227787
2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228045
2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227729
2,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine
CID 117227702
4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228759
2,4-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine
CID 117228010
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228082
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
CID 84778007
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228639

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The IUPAC name of 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (CID 117227765) is 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is CC1COC(C)(CC2CCS(=O)(=O)CC2)N1.Cl.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The InChIKey is JMADFGGARGKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S.ClH/c1-9-8-15-11(2,12-9)7-10-3-5-16(13,14)6-4-10;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
4-[(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 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 117227765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).