O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine

C10H15NOS2 — CID 166831016

IUPACO-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine
SMILESCC(C)SSC(ON)c1ccccc1
InChIInChI=1S/C10H15NOS2/c1-8(2)13-14-10(12-11)9-6-4-3-5-7-9/h3-8,10H,11H2,1-2H3
InChIKeyUHRFNAGKNFEQEP-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.37
Rot. Bonds5

About O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine

O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine (PubChem CID 166831016) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine
PubChem CID166831016
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameO-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine
SMILESCC(C)SSC(ON)c1ccccc1
InChIInChI=1S/C10H15NOS2/c1-8(2)13-14-10(12-11)9-6-4-3-5-7-9/h3-8,10H,11H2,1-2H3
InChIKeyUHRFNAGKNFEQEP-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[[4-[2-[(butyldisulfanyl)-phenylmethoxy]-5-methyl-5-[[phenyl(propan-2-yloxy)methyl]disulfanyl]hexyl]phenyl]-(propan-2-yldisulfanyl)methyl]hydroxylamine
CID 166830978
O-(2-amino-1-phenylpropyl)hydroxylamine
CID 54305698
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
1-bromoethylbenzene
CID 11454
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
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1-(1-phenylethyltetrasulfanyl)ethylbenzene
CID 71330817
benzene;cumene
CID 157215889
cumene
CID 161227923
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine?
The IUPAC name of O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine (CID 166831016) is O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine.
What is the SMILES notation for O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine?
The canonical SMILES for O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine is CC(C)SSC(ON)c1ccccc1.
What is the InChIKey of O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine?
The InChIKey is UHRFNAGKNFEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8(2)13-14-10(12-11)9-6-4-3-5-7-9/h3-8,10H,11H2,1-2H3.
What are the key properties of O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine?
O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine has a molecular weight of 229.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[phenyl-(propan-2-yldisulfanyl)methyl]hydroxylamine is sourced from PubChem (CID 166831016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).