O-(1-sulfanylpropyl)hydroxylamine

C3H9NOS — CID 155907410

IUPACO-(1-sulfanylpropyl)hydroxylamine
SMILESCCC(S)ON
InChIInChI=1S/C3H9NOS/c1-2-3(6)5-4/h3,6H,2,4H2,1H3
InChIKeyHKPRTUWHOLLKRW-UHFFFAOYSA-N
MW107.18 g/mol
LogP0.54
Rot. Bonds2

About O-(1-sulfanylpropyl)hydroxylamine

O-(1-sulfanylpropyl)hydroxylamine (PubChem CID 155907410) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is O-(1-sulfanylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(1-sulfanylpropyl)hydroxylamine
PubChem CID155907410
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC NameO-(1-sulfanylpropyl)hydroxylamine
SMILESCCC(S)ON
InChIInChI=1S/C3H9NOS/c1-2-3(6)5-4/h3,6H,2,4H2,1H3
InChIKeyHKPRTUWHOLLKRW-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(1-sulfanylpropyl)hydroxylamine?
The IUPAC name of O-(1-sulfanylpropyl)hydroxylamine (CID 155907410) is O-(1-sulfanylpropyl)hydroxylamine.
What is the SMILES notation for O-(1-sulfanylpropyl)hydroxylamine?
The canonical SMILES for O-(1-sulfanylpropyl)hydroxylamine is CCC(S)ON.
What is the InChIKey of O-(1-sulfanylpropyl)hydroxylamine?
The InChIKey is HKPRTUWHOLLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-2-3(6)5-4/h3,6H,2,4H2,1H3.
What are the key properties of O-(1-sulfanylpropyl)hydroxylamine?
O-(1-sulfanylpropyl)hydroxylamine has a molecular weight of 107.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-sulfanylpropyl)hydroxylamine is sourced from PubChem (CID 155907410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).