2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide

C10H21NO3S — CID 67807447

IUPAC2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(2)11-6-5-10(15(11,12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyITHVKDDYVJHAIE-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.22
Rot. Bonds4

About 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide

2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 67807447) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID67807447
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)OCC1CCN(C(C)C)S1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(2)11-6-5-10(15(11,12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyITHVKDDYVJHAIE-UHFFFAOYSA-N
XLogP1.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.22
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-yloxymethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide (CID 67807447) is 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide is CC(C)OCC1CCN(C(C)C)S1(=O)=O.
What is the InChIKey of 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ITHVKDDYVJHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)11-6-5-10(15(11,12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide?
2-propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 235.35 g/mol, XLogP of 1.22, 4 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-yloxymethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67807447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).