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

C9H17NO3S — CID 117227876

IUPAC2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
SMILESCC1(C)COC(C2CCCS2(=O)=O)N1
InChIInChI=1S/C9H17NO3S/c1-9(2)6-13-8(10-9)7-4-3-5-14(7,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyRRDKPXULLBYQBF-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.29
Rot. Bonds1

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

2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide (PubChem CID 117227876) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
PubChem CID117227876
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
SMILESCC1(C)COC(C2CCCS2(=O)=O)N1
InChIInChI=1S/C9H17NO3S/c1-9(2)6-13-8(10-9)7-4-3-5-14(7,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyRRDKPXULLBYQBF-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

(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227874
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
CID 117270483
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide (CID 117227876) is 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide is CC1(C)COC(C2CCCS2(=O)=O)N1.
What is the InChIKey of 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
The InChIKey is RRDKPXULLBYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(2)6-13-8(10-9)7-4-3-5-14(7,11)12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide?
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 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-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).