2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide

C11H24N2O2S — CID 21061944

IUPAC2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide
SMILESCCCCN1CCN(CC(C)C)CS1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-4-5-6-13-8-7-12(9-11(2)3)10-16(13,14)15/h11H,4-10H2,1-3H3
InChIKeyXUJFDUCMLYLHMI-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.35
Rot. Bonds5

About 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide

2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide (PubChem CID 21061944) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide
PubChem CID21061944
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide
SMILESCCCCN1CCN(CC(C)C)CS1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-4-5-6-13-8-7-12(9-11(2)3)10-16(13,14)15/h11H,4-10H2,1-3H3
InChIKeyXUJFDUCMLYLHMI-UHFFFAOYSA-N
XLogP1.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide (CID 21061944) is 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide is CCCCN1CCN(CC(C)C)CS1(=O)=O.
What is the InChIKey of 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide?
The InChIKey is XUJFDUCMLYLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-5-6-13-8-7-12(9-11(2)3)10-16(13,14)15/h11H,4-10H2,1-3H3.
What are the key properties of 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide?
2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide has a molecular weight of 248.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 21061944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).