2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide

C12H21NO4S — CID 79672321

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(C2CCC3(CC2)OCCO3)S(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-10-8-13(18(14,15)9-10)11-2-4-12(5-3-11)16-6-7-17-12/h10-11H,2-9H2,1H3
InChIKeyVVTTUBUCGGLMKX-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.95
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide

2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 79672321) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID79672321
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(C2CCC3(CC2)OCCO3)S(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-10-8-13(18(14,15)9-10)11-2-4-12(5-3-11)16-6-7-17-12/h10-11H,2-9H2,1H3
InChIKeyVVTTUBUCGGLMKX-UHFFFAOYSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 79672321) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide is CC1CN(C2CCC3(CC2)OCCO3)S(=O)(=O)C1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is VVTTUBUCGGLMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-10-8-13(18(14,15)9-10)11-2-4-12(5-3-11)16-6-7-17-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 275.37 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79672321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).