2-propylthiazetidine 1,1-dioxide

C5H11NO2S — CID 12959044

IUPAC2-propylthiazetidine 1,1-dioxide
SMILESCCCN1CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-2-3-6-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyZSHFAZQNBPHUIK-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.04
Rot. Bonds2

About 2-propylthiazetidine 1,1-dioxide

2-propylthiazetidine 1,1-dioxide (PubChem CID 12959044) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-propylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-propylthiazetidine 1,1-dioxide
PubChem CID12959044
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-propylthiazetidine 1,1-dioxide
SMILESCCCN1CCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-2-3-6-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyZSHFAZQNBPHUIK-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-propylthiazetidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propylthiazetidine 1,1-dioxide?
The IUPAC name of 2-propylthiazetidine 1,1-dioxide (CID 12959044) is 2-propylthiazetidine 1,1-dioxide.
What is the SMILES notation for 2-propylthiazetidine 1,1-dioxide?
The canonical SMILES for 2-propylthiazetidine 1,1-dioxide is CCCN1CCS1(=O)=O.
What is the InChIKey of 2-propylthiazetidine 1,1-dioxide?
The InChIKey is ZSHFAZQNBPHUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-3-6-4-5-9(6,7)8/h2-5H2,1H3.
What are the key properties of 2-propylthiazetidine 1,1-dioxide?
2-propylthiazetidine 1,1-dioxide has a molecular weight of 149.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthiazetidine 1,1-dioxide is sourced from PubChem (CID 12959044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).