2-propan-2-ylthiazetidine 1,1-dioxide

C5H11NO2S — CID 12959057

IUPAC2-propan-2-ylthiazetidine 1,1-dioxide
SMILESCC(C)N1CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(2)6-3-4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyLTLIRVYFOIIFPH-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.04
Rot. Bonds1

About 2-propan-2-ylthiazetidine 1,1-dioxide

2-propan-2-ylthiazetidine 1,1-dioxide (PubChem CID 12959057) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-propan-2-ylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-ylthiazetidine 1,1-dioxide
PubChem CID12959057
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-propan-2-ylthiazetidine 1,1-dioxide
SMILESCC(C)N1CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(2)6-3-4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyLTLIRVYFOIIFPH-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiazetidine 1,1-dioxide?
The IUPAC name of 2-propan-2-ylthiazetidine 1,1-dioxide (CID 12959057) is 2-propan-2-ylthiazetidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-ylthiazetidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-ylthiazetidine 1,1-dioxide is CC(C)N1CCS1(=O)=O.
What is the InChIKey of 2-propan-2-ylthiazetidine 1,1-dioxide?
The InChIKey is LTLIRVYFOIIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2)6-3-4-9(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylthiazetidine 1,1-dioxide?
2-propan-2-ylthiazetidine 1,1-dioxide has a molecular weight of 149.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiazetidine 1,1-dioxide is sourced from PubChem (CID 12959057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).