3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

C5H12N2O2S — CID 55218994

IUPAC3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)C1CNS(=O)(=O)N1
InChIInChI=1S/C5H12N2O2S/c1-4(2)5-3-6-10(8,9)7-5/h4-7H,3H2,1-2H3
InChIKeyUBCCTBNQLVQLRI-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.55
Rot. Bonds1

About 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 55218994) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID55218994
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)C1CNS(=O)(=O)N1
InChIInChI=1S/C5H12N2O2S/c1-4(2)5-3-6-10(8,9)7-5/h4-7H,3H2,1-2H3
InChIKeyUBCCTBNQLVQLRI-UHFFFAOYSA-N
XLogP-0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 55218994) is 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)C1CNS(=O)(=O)N1.
What is the InChIKey of 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is UBCCTBNQLVQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-4(2)5-3-6-10(8,9)7-5/h4-7H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 55218994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).