3-methoxysulfanyl-3-phenylazetidine

C10H13NOS — CID 175289282

IUPAC3-methoxysulfanyl-3-phenylazetidine
SMILESCOSC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13NOS/c1-12-13-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyQHATWCYRCHPWJN-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.78
Rot. Bonds3

About 3-methoxysulfanyl-3-phenylazetidine

3-methoxysulfanyl-3-phenylazetidine (PubChem CID 175289282) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-methoxysulfanyl-3-phenylazetidine.

Molecular Properties

Compound Name3-methoxysulfanyl-3-phenylazetidine
PubChem CID175289282
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-methoxysulfanyl-3-phenylazetidine
SMILESCOSC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13NOS/c1-12-13-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyQHATWCYRCHPWJN-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxysulfanyl-3-phenylazetidine?
The IUPAC name of 3-methoxysulfanyl-3-phenylazetidine (CID 175289282) is 3-methoxysulfanyl-3-phenylazetidine.
What is the SMILES notation for 3-methoxysulfanyl-3-phenylazetidine?
The canonical SMILES for 3-methoxysulfanyl-3-phenylazetidine is COSC1(c2ccccc2)CNC1.
What is the InChIKey of 3-methoxysulfanyl-3-phenylazetidine?
The InChIKey is QHATWCYRCHPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-12-13-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 3-methoxysulfanyl-3-phenylazetidine?
3-methoxysulfanyl-3-phenylazetidine has a molecular weight of 195.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxysulfanyl-3-phenylazetidine is sourced from PubChem (CID 175289282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).