1,3-thiazetidine 1-oxide

C2H5NOS — CID 156806042

IUPAC1,3-thiazetidine 1-oxide
SMILESO=S1CNC1
InChIInChI=1S/C2H5NOS/c4-5-1-3-2-5/h3H,1-2H2
InChIKeyNVHIJWPECMCOLF-UHFFFAOYSA-N
MW91.14 g/mol
LogP-0.75
Rot. Bonds

About 1,3-thiazetidine 1-oxide

1,3-thiazetidine 1-oxide (PubChem CID 156806042) has the molecular formula C2H5NOS and a molecular weight of 91.14 g/mol. Its IUPAC name is 1,3-thiazetidine 1-oxide.

Molecular Properties

Compound Name1,3-thiazetidine 1-oxide
PubChem CID156806042
Molecular FormulaC2H5NOS
Molecular Weight91.14 g/mol
Exact Mass91.01
IUPAC Name1,3-thiazetidine 1-oxide
SMILESO=S1CNC1
InChIInChI=1S/C2H5NOS/c4-5-1-3-2-5/h3H,1-2H2
InChIKeyNVHIJWPECMCOLF-UHFFFAOYSA-N
XLogP-0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-thiazetidine 1-oxide 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 1,3-thiazetidine 1-oxide?
The IUPAC name of 1,3-thiazetidine 1-oxide (CID 156806042) is 1,3-thiazetidine 1-oxide.
What is the SMILES notation for 1,3-thiazetidine 1-oxide?
The canonical SMILES for 1,3-thiazetidine 1-oxide is O=S1CNC1.
What is the InChIKey of 1,3-thiazetidine 1-oxide?
The InChIKey is NVHIJWPECMCOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS/c4-5-1-3-2-5/h3H,1-2H2.
What are the key properties of 1,3-thiazetidine 1-oxide?
1,3-thiazetidine 1-oxide has a molecular weight of 91.14 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazetidine 1-oxide is sourced from PubChem (CID 156806042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).