4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

C7H16N2O2S — CID 167274030

IUPAC4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CC(C)NS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-6(2)4-9-5-7(3)8-12(9,10)11/h6-8H,4-5H2,1-3H3
InChIKeyVITZZURGINHOKA-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.18
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 167274030) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID167274030
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CC(C)NS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-6(2)4-9-5-7(3)8-12(9,10)11/h6-8H,4-5H2,1-3H3
InChIKeyVITZZURGINHOKA-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 167274030) is 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)CN1CC(C)NS1(=O)=O.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is VITZZURGINHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(2)4-9-5-7(3)8-12(9,10)11/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 167274030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).