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

C5H12N2O2S — CID 10397135

IUPAC2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)N1CCNS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-5(2)7-4-3-6-10(7,8)9/h5-6H,3-4H2,1-2H3
InChIKeySFSRUGQYRFPBDD-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.46
Rot. Bonds1

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

2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 10397135) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID10397135
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)N1CCNS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-5(2)7-4-3-6-10(7,8)9/h5-6H,3-4H2,1-2H3
InChIKeySFSRUGQYRFPBDD-UHFFFAOYSA-N
XLogP-0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 10397135) is 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)N1CCNS1(=O)=O.
What is the InChIKey of 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is SFSRUGQYRFPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5(2)7-4-3-6-10(7,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 10397135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).