3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide

C6H12N2O2S — CID 22898630

IUPAC3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide
SMILESCC(C)C1=NCCS(=O)(=O)N1
InChIInChI=1S/C6H12N2O2S/c1-5(2)6-7-3-4-11(9,10)8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyZUIRHHIVDQHGKZ-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.03
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide

3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide (PubChem CID 22898630) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide
PubChem CID22898630
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide
SMILESCC(C)C1=NCCS(=O)(=O)N1
InChIInChI=1S/C6H12N2O2S/c1-5(2)6-7-3-4-11(9,10)8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyZUIRHHIVDQHGKZ-UHFFFAOYSA-N
XLogP-0.03
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide (CID 22898630) is 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide is CC(C)C1=NCCS(=O)(=O)N1.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide?
The InChIKey is ZUIRHHIVDQHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-5(2)6-7-3-4-11(9,10)8-6/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide?
3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide has a molecular weight of 176.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide is sourced from PubChem (CID 22898630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).