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

C9H20N2O2S — CID 59551560

IUPAC2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)N1CCN(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-8(2)10-6-7-11(9(3,4)5)14(10,12)13/h8H,6-7H2,1-5H3
InChIKeySZFHMLXBIXMRBH-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.06
Rot. Bonds1

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

2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 59551560) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID59551560
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)N1CCN(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-8(2)10-6-7-11(9(3,4)5)14(10,12)13/h8H,6-7H2,1-5H3
InChIKeySZFHMLXBIXMRBH-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 59551560) is 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)N1CCN(C(C)(C)C)S1(=O)=O.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is SZFHMLXBIXMRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)10-6-7-11(9(3,4)5)14(10,12)13/h8H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 220.34 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 59551560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).