4,4-dimethylthiazetidine 1,1-dioxide

C4H9NO2S — CID 14786059

IUPAC4,4-dimethylthiazetidine 1,1-dioxide
SMILESCC1(C)CNS1(=O)=O
InChIInChI=1S/C4H9NO2S/c1-4(2)3-5-8(4,6)7/h5H,3H2,1-2H3
InChIKeyQNJZWUHNUCKGSK-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.30
Rot. Bonds

About 4,4-dimethylthiazetidine 1,1-dioxide

4,4-dimethylthiazetidine 1,1-dioxide (PubChem CID 14786059) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 4,4-dimethylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name4,4-dimethylthiazetidine 1,1-dioxide
PubChem CID14786059
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name4,4-dimethylthiazetidine 1,1-dioxide
SMILESCC1(C)CNS1(=O)=O
InChIInChI=1S/C4H9NO2S/c1-4(2)3-5-8(4,6)7/h5H,3H2,1-2H3
InChIKeyQNJZWUHNUCKGSK-UHFFFAOYSA-N
XLogP-0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylthiazetidine 1,1-dioxide?
The IUPAC name of 4,4-dimethylthiazetidine 1,1-dioxide (CID 14786059) is 4,4-dimethylthiazetidine 1,1-dioxide.
What is the SMILES notation for 4,4-dimethylthiazetidine 1,1-dioxide?
The canonical SMILES for 4,4-dimethylthiazetidine 1,1-dioxide is CC1(C)CNS1(=O)=O.
What is the InChIKey of 4,4-dimethylthiazetidine 1,1-dioxide?
The InChIKey is QNJZWUHNUCKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4(2)3-5-8(4,6)7/h5H,3H2,1-2H3.
What are the key properties of 4,4-dimethylthiazetidine 1,1-dioxide?
4,4-dimethylthiazetidine 1,1-dioxide has a molecular weight of 135.19 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylthiazetidine 1,1-dioxide is sourced from PubChem (CID 14786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).