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

C7H15NO2S — CID 67806596

IUPAC5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)N1CCC(C)S1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6(2)8-5-4-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyKGUMJFHOAKAXIE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds1

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

5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 67806596) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID67806596
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)N1CCC(C)S1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6(2)8-5-4-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyKGUMJFHOAKAXIE-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 67806596) is 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(C)N1CCC(C)S1(=O)=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KGUMJFHOAKAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)8-5-4-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67806596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).