2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

C11H24N2O2S — CID 21061946

IUPAC2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCN1CCN(CC(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-5-6-7-12-8-9-13(16(12,14)15)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyQUNGUYZTANLJRP-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.70
Rot. Bonds4

About 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 21061946) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID21061946
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCN1CCN(CC(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-5-6-7-12-8-9-13(16(12,14)15)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyQUNGUYZTANLJRP-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 21061946) is 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is CCCCN1CCN(CC(C)(C)C)S1(=O)=O.
What is the InChIKey of 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is QUNGUYZTANLJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-6-7-12-8-9-13(16(12,14)15)10-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 248.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2,2-dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 21061946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).