2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C7H16N2O2S — CID 174934450

IUPAC2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CN(C(C)(C)C)S(=O)(=O)N1
InChIInChI=1S/C7H16N2O2S/c1-6-5-9(7(2,3)4)12(10,11)8-6/h6,8H,5H2,1-4H3
InChIKeyLFZXLXGKOHNBHD-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.32
Rot. Bonds

About 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 174934450) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID174934450
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CN(C(C)(C)C)S(=O)(=O)N1
InChIInChI=1S/C7H16N2O2S/c1-6-5-9(7(2,3)4)12(10,11)8-6/h6,8H,5H2,1-4H3
InChIKeyLFZXLXGKOHNBHD-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 174934450) is 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide is CC1CN(C(C)(C)C)S(=O)(=O)N1.
What is the InChIKey of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is LFZXLXGKOHNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6-5-9(7(2,3)4)12(10,11)8-6/h6,8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 174934450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).