3-prop-2-enylsulfanylazetidine

C6H11NS — CID 130507982

IUPAC3-prop-2-enylsulfanylazetidine
SMILESC=CCSC1CNC1
InChIInChI=1S/C6H11NS/c1-2-3-8-6-4-7-5-6/h2,6-7H,1,3-5H2
InChIKeyJWTWFSYYAZAKSO-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.88
Rot. Bonds3

About 3-prop-2-enylsulfanylazetidine

3-prop-2-enylsulfanylazetidine (PubChem CID 130507982) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylazetidine.

Molecular Properties

Compound Name3-prop-2-enylsulfanylazetidine
PubChem CID130507982
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-prop-2-enylsulfanylazetidine
SMILESC=CCSC1CNC1
InChIInChI=1S/C6H11NS/c1-2-3-8-6-4-7-5-6/h2,6-7H,1,3-5H2
InChIKeyJWTWFSYYAZAKSO-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylazetidine?
The IUPAC name of 3-prop-2-enylsulfanylazetidine (CID 130507982) is 3-prop-2-enylsulfanylazetidine.
What is the SMILES notation for 3-prop-2-enylsulfanylazetidine?
The canonical SMILES for 3-prop-2-enylsulfanylazetidine is C=CCSC1CNC1.
What is the InChIKey of 3-prop-2-enylsulfanylazetidine?
The InChIKey is JWTWFSYYAZAKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-8-6-4-7-5-6/h2,6-7H,1,3-5H2.
What are the key properties of 3-prop-2-enylsulfanylazetidine?
3-prop-2-enylsulfanylazetidine has a molecular weight of 129.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylazetidine is sourced from PubChem (CID 130507982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).