S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine

C6H14N2OS — CID 137403081

IUPACS-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine
SMILESCOCCN1CC(SN)C1
InChIInChI=1S/C6H14N2OS/c1-9-3-2-8-4-6(5-8)10-7/h6H,2-5,7H2,1H3
InChIKeyPZTNGGZHRWKCKJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.08
Rot. Bonds4

About S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine

S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine (PubChem CID 137403081) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine
PubChem CID137403081
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameS-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine
SMILESCOCCN1CC(SN)C1
InChIInChI=1S/C6H14N2OS/c1-9-3-2-8-4-6(5-8)10-7/h6H,2-5,7H2,1H3
InChIKeyPZTNGGZHRWKCKJ-UHFFFAOYSA-N
XLogP-0.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.08
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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Related Compounds

(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
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CID 176961318
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
CID 57077875
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
[(3S)-1-(2-methoxyethyl)piperidin-3-yl]sulfanylmethanethiol
CID 134241806
(1S,5S)-3-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98469877
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
4-[7-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]aniline
CID 170049377
1-(2-methoxyethyl)azocane
CID 47014834

Frequently Asked Questions

What is the IUPAC name of S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine?
The IUPAC name of S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine (CID 137403081) is S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine.
What is the SMILES notation for S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine?
The canonical SMILES for S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine is COCCN1CC(SN)C1.
What is the InChIKey of S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine?
The InChIKey is PZTNGGZHRWKCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-9-3-2-8-4-6(5-8)10-7/h6H,2-5,7H2,1H3.
What are the key properties of S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine?
S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine has a molecular weight of 162.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine is sourced from PubChem (CID 137403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).