3-(sulfanylmethyl)azetidin-3-ol

C4H9NOS — CID 89059166

IUPAC3-(sulfanylmethyl)azetidin-3-ol
SMILESOC1(CS)CNC1
InChIInChI=1S/C4H9NOS/c6-4(3-7)1-5-2-4/h5-7H,1-3H2
InChIKeyAUSAYISZUNRDOE-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.75
Rot. Bonds1

About 3-(sulfanylmethyl)azetidin-3-ol

3-(sulfanylmethyl)azetidin-3-ol (PubChem CID 89059166) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 3-(sulfanylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(sulfanylmethyl)azetidin-3-ol
PubChem CID89059166
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name3-(sulfanylmethyl)azetidin-3-ol
SMILESOC1(CS)CNC1
InChIInChI=1S/C4H9NOS/c6-4(3-7)1-5-2-4/h5-7H,1-3H2
InChIKeyAUSAYISZUNRDOE-UHFFFAOYSA-N
XLogP-0.75
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylmethyl)azetidin-3-ol?
The IUPAC name of 3-(sulfanylmethyl)azetidin-3-ol (CID 89059166) is 3-(sulfanylmethyl)azetidin-3-ol.
What is the SMILES notation for 3-(sulfanylmethyl)azetidin-3-ol?
The canonical SMILES for 3-(sulfanylmethyl)azetidin-3-ol is OC1(CS)CNC1.
What is the InChIKey of 3-(sulfanylmethyl)azetidin-3-ol?
The InChIKey is AUSAYISZUNRDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c6-4(3-7)1-5-2-4/h5-7H,1-3H2.
What are the key properties of 3-(sulfanylmethyl)azetidin-3-ol?
3-(sulfanylmethyl)azetidin-3-ol has a molecular weight of 119.19 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylmethyl)azetidin-3-ol is sourced from PubChem (CID 89059166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).