thiazetidine 1,1-dioxide

C2H5NO2S — CID 12959053

IUPACthiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1
InChIInChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
InChIKeyGNPXXOFTVXIOLF-UHFFFAOYSA-N
MW107.13 g/mol
LogP-1.08
Rot. Bonds

About thiazetidine 1,1-dioxide

thiazetidine 1,1-dioxide (PubChem CID 12959053) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is thiazetidine 1,1-dioxide.

Molecular Properties

Compound Namethiazetidine 1,1-dioxide
PubChem CID12959053
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC Namethiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1
InChIInChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
InChIKeyGNPXXOFTVXIOLF-UHFFFAOYSA-N
XLogP-1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiazetidine 1,1-dioxide?
The IUPAC name of thiazetidine 1,1-dioxide (CID 12959053) is thiazetidine 1,1-dioxide.
What is the SMILES notation for thiazetidine 1,1-dioxide?
The canonical SMILES for thiazetidine 1,1-dioxide is O=S1(=O)CCN1.
What is the InChIKey of thiazetidine 1,1-dioxide?
The InChIKey is GNPXXOFTVXIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2.
What are the key properties of thiazetidine 1,1-dioxide?
thiazetidine 1,1-dioxide has a molecular weight of 107.13 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiazetidine 1,1-dioxide is sourced from PubChem (CID 12959053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).