2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide

C9H17NO3S — CID 117227318

IUPAC2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
SMILESCC1(C2CCCCS2(=O)=O)NCCO1
InChIInChI=1S/C9H17NO3S/c1-9(10-5-6-13-9)8-4-2-3-7-14(8,11)12/h8,10H,2-7H2,1H3
InChIKeyPWHMYAAUGXARHJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.29
Rot. Bonds1

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

2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide (PubChem CID 117227318) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
PubChem CID117227318
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
SMILESCC1(C2CCCCS2(=O)=O)NCCO1
InChIInChI=1S/C9H17NO3S/c1-9(10-5-6-13-9)8-4-2-3-7-14(8,11)12/h8,10H,2-7H2,1H3
InChIKeyPWHMYAAUGXARHJ-UHFFFAOYSA-N
XLogP0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-methyl-1,3-oxazolidine;hydrochloride
CID 117227541
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227438
2-methyl-2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazolidine
CID 117227323
1-(1,1-dioxothian-2-yl)cyclopentan-1-amine
CID 115074027
1-(1,1-dioxothian-2-yl)cyclohexan-1-amine
CID 71216253
2-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228045
(2R)-2-cyclopentyl-3,3-dimethylmorpholine
CID 129497605
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
6-[(1,1-dioxothian-2-yl)methyl]-6-methylmorpholin-3-one
CID 117159114
2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetonitrile
CID 117168887
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117227333

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide (CID 117227318) is 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide is CC1(C2CCCCS2(=O)=O)NCCO1.
What is the InChIKey of 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide?
The InChIKey is PWHMYAAUGXARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(10-5-6-13-9)8-4-2-3-7-14(8,11)12/h8,10H,2-7H2,1H3.
What are the key properties of 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide?
2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide has a molecular weight of 219.31 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117227318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).