S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine

C8H16N2OS — CID 166854808

IUPACS-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine
SMILESNSC1CN(C2CCOCC2)C1
InChIInChI=1S/C8H16N2OS/c9-12-8-5-10(6-8)7-1-3-11-4-2-7/h7-8H,1-6,9H2
InChIKeyRKDJAYOVPAIHMQ-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.46
Rot. Bonds2

About S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine

S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine (PubChem CID 166854808) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine
PubChem CID166854808
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameS-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine
SMILESNSC1CN(C2CCOCC2)C1
InChIInChI=1S/C8H16N2OS/c9-12-8-5-10(6-8)7-1-3-11-4-2-7/h7-8H,1-6,9H2
InChIKeyRKDJAYOVPAIHMQ-UHFFFAOYSA-N
XLogP0.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine?
The IUPAC name of S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine (CID 166854808) is S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine.
What is the SMILES notation for S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine?
The canonical SMILES for S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine is NSC1CN(C2CCOCC2)C1.
What is the InChIKey of S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine?
The InChIKey is RKDJAYOVPAIHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-12-8-5-10(6-8)7-1-3-11-4-2-7/h7-8H,1-6,9H2.
What are the key properties of S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine?
S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine has a molecular weight of 188.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[1-(oxan-4-yl)azetidin-3-yl]thiohydroxylamine is sourced from PubChem (CID 166854808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).