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

C9H17NO3S — CID 117227706

IUPAC3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1COC(CC2CCS(=O)(=O)C2)N1
InChIInChI=1S/C9H17NO3S/c1-7-5-13-9(10-7)4-8-2-3-14(11,12)6-8/h7-10H,2-6H2,1H3
InChIKeyUYHDJFXSINIKDL-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.15
Rot. Bonds2

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

3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117227706) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
PubChem CID117227706
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1COC(CC2CCS(=O)(=O)C2)N1
InChIInChI=1S/C9H17NO3S/c1-7-5-13-9(10-7)4-8-2-3-14(11,12)6-8/h7-10H,2-6H2,1H3
InChIKeyUYHDJFXSINIKDL-UHFFFAOYSA-N
XLogP0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117226654
3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
CID 117225725
6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one
CID 117159031
4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
CID 117228385
4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
4-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228758
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
N,N-dimethyl-2-(4-methyl-1,3-oxazolidin-2-yl)ethanamine
CID 117228622
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide (CID 117227706) is 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide is CC1COC(CC2CCS(=O)(=O)C2)N1.
What is the InChIKey of 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is UYHDJFXSINIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-5-13-9(10-7)4-8-2-3-14(11,12)6-8/h7-10H,2-6H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide?
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 219.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117227706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).