S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine

C8H15NOS — CID 166674402

IUPACS-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine
SMILESC=CC[C@@H]1COCC[C@H]1SN
InChIInChI=1S/C8H15NOS/c1-2-3-7-6-10-5-4-8(7)11-9/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1
InChIKeyMATJZVCEISKHAV-HTQZYQBOSA-N
MW173.28 g/mol
LogP1.57
Rot. Bonds3

About S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine

S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine (PubChem CID 166674402) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine
PubChem CID166674402
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameS-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine
SMILESC=CC[C@@H]1COCC[C@H]1SN
InChIInChI=1S/C8H15NOS/c1-2-3-7-6-10-5-4-8(7)11-9/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1
InChIKeyMATJZVCEISKHAV-HTQZYQBOSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine?
The IUPAC name of S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine (CID 166674402) is S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine.
What is the SMILES notation for S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine?
The canonical SMILES for S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine is C=CC[C@@H]1COCC[C@H]1SN.
What is the InChIKey of S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine?
The InChIKey is MATJZVCEISKHAV-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-3-7-6-10-5-4-8(7)11-9/h2,7-8H,1,3-6,9H2/t7-,8-/m1/s1.
What are the key properties of S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine?
S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine has a molecular weight of 173.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(3R,4R)-3-prop-2-enyloxan-4-yl]thiohydroxylamine is sourced from PubChem (CID 166674402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).