4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide

C11H21NO3S — CID 117226211

IUPAC4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
SMILESCC1(C)CNC(C2CCS(=O)(=O)CC2)OC1
InChIInChI=1S/C11H21NO3S/c1-11(2)7-12-10(15-8-11)9-3-5-16(13,14)6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDATVLYTUHOWMLC-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.78
Rot. Bonds1

About 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide

4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide (PubChem CID 117226211) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
PubChem CID117226211
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
SMILESCC1(C)CNC(C2CCS(=O)(=O)CC2)OC1
InChIInChI=1S/C11H21NO3S/c1-11(2)7-12-10(15-8-11)9-3-5-16(13,14)6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDATVLYTUHOWMLC-UHFFFAOYSA-N
XLogP0.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876
4-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228758
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
CID 105492913

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide (CID 117226211) is 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide is CC1(C)CNC(C2CCS(=O)(=O)CC2)OC1.
What is the InChIKey of 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide?
The InChIKey is DATVLYTUHOWMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2)7-12-10(15-8-11)9-3-5-16(13,14)6-4-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide?
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117226211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).