2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide

C9H19NO3S — CID 67807375

IUPAC2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7(2)10-6-5-9(13-8(3)4)14(10,11)12/h7-9H,5-6H2,1-4H3
InChIKeyLXIBUILLRFVKNL-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.18
Rot. Bonds3

About 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide

2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide (PubChem CID 67807375) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
PubChem CID67807375
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7(2)10-6-5-9(13-8(3)4)14(10,11)12/h7-9H,5-6H2,1-4H3
InChIKeyLXIBUILLRFVKNL-UHFFFAOYSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide (CID 67807375) is 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide is CC(C)OC1CCN(C(C)C)S1(=O)=O.
What is the InChIKey of 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LXIBUILLRFVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)10-6-5-9(13-8(3)4)14(10,11)12/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide?
2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide has a molecular weight of 221.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67807375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).