2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide

C8H15NO3S — CID 117227874

IUPAC2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
SMILESCC1COC(C2CCCS2(=O)=O)N1
InChIInChI=1S/C8H15NO3S/c1-6-5-12-8(9-6)7-3-2-4-13(7,10)11/h6-9H,2-5H2,1H3
InChIKeyFALNAUXMOAEKFX-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.10
Rot. Bonds1

About 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide

2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide (PubChem CID 117227874) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
PubChem CID117227874
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
SMILESCC1COC(C2CCCS2(=O)=O)N1
InChIInChI=1S/C8H15NO3S/c1-6-5-12-8(9-6)7-3-2-4-13(7,10)11/h6-9H,2-5H2,1H3
InChIKeyFALNAUXMOAEKFX-UHFFFAOYSA-N
XLogP-0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876
5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide
CID 66233999
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227809
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227891
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
CID 117227706
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
2-(1-ethylpyrrolidin-2-yl)-4-methyl-1,3-oxazolidine;hydrochloride
CID 117227905
3-methyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-2H-cyclododeca[b][1,4]thiazine 1,1-dioxide
CID 66216967
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227683
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide (CID 117227874) is 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide is CC1COC(C2CCCS2(=O)=O)N1.
What is the InChIKey of 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The InChIKey is FALNAUXMOAEKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6-5-12-8(9-6)7-3-2-4-13(7,10)11/h6-9H,2-5H2,1H3.
What are the key properties of 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide has a molecular weight of 205.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117227874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).