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

C11H22ClNO3S — CID 117228101

IUPAC3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCCS(=O)(=O)C2)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-7-15-11(2,12-9)6-10-4-3-5-16(13,14)8-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyXHSORVUCPPNXOP-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.35
Rot. Bonds2

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

3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (PubChem CID 117228101) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
PubChem CID117228101
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1COC(C)(CC2CCCS(=O)(=O)C2)N1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-7-15-11(2,12-9)6-10-4-3-5-16(13,14)8-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyXHSORVUCPPNXOP-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

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Related Compounds

4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117227765
2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228045
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227787
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
2,4-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine
CID 117228010
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117226654
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228082
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The IUPAC name of 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (CID 117228101) is 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is CC1COC(C)(CC2CCCS(=O)(=O)C2)N1.Cl.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The InChIKey is XHSORVUCPPNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S.ClH/c1-9-7-15-11(2,12-9)6-10-4-3-5-16(13,14)8-10;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
3-[(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 3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 117228101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).