4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide

C13H20N2O2S — CID 134994164

IUPAC4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCN1CC(C)(Cc2ccccc2)NS1(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-3-9-15-11-13(2,14-18(15,16)17)10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeyIVHQICSRKUEDJD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.55
Rot. Bonds4

About 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide

4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 134994164) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID134994164
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCN1CC(C)(Cc2ccccc2)NS1(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-3-9-15-11-13(2,14-18(15,16)17)10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeyIVHQICSRKUEDJD-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 134994164) is 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide is CCCN1CC(C)(Cc2ccccc2)NS1(=O)=O.
What is the InChIKey of 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is IVHQICSRKUEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-9-15-11-13(2,14-18(15,16)17)10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 268.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-methyl-2-propyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 134994164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).