O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine

C8H15NOS2 — CID 170710631

IUPACO-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine
SMILESCC1SSC2(CCCC2)C1ON
InChIInChI=1S/C8H15NOS2/c1-6-7(10-9)8(12-11-6)4-2-3-5-8/h6-7H,2-5,9H2,1H3
InChIKeyGDOOXRWXJUDTRD-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.34
Rot. Bonds1

About O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine

O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine (PubChem CID 170710631) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine
PubChem CID170710631
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC NameO-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine
SMILESCC1SSC2(CCCC2)C1ON
InChIInChI=1S/C8H15NOS2/c1-6-7(10-9)8(12-11-6)4-2-3-5-8/h6-7H,2-5,9H2,1H3
InChIKeyGDOOXRWXJUDTRD-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-3-methyl-1,2-dithiaspiro[4.4]nonane
CID 170710478

Frequently Asked Questions

What is the IUPAC name of O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine?
The IUPAC name of O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine (CID 170710631) is O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine.
What is the SMILES notation for O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine?
The canonical SMILES for O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine is CC1SSC2(CCCC2)C1ON.
What is the InChIKey of O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine?
The InChIKey is GDOOXRWXJUDTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-6-7(10-9)8(12-11-6)4-2-3-5-8/h6-7H,2-5,9H2,1H3.
What are the key properties of O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine?
O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine has a molecular weight of 205.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methyl-1,2-dithiaspiro[4.4]nonan-4-yl)hydroxylamine is sourced from PubChem (CID 170710631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).