N-hydroxy-9-methylsulfanylnonan-1-imine oxide

C10H21NO2S — CID 123131533

IUPACN-hydroxy-9-methylsulfanylnonan-1-imine oxide
SMILESCSCCCCCCCC/C=[N+](\[O-])O
InChIInChI=1S/C10H21NO2S/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h9H,2-8,10H2,1H3,(H,12,13)
InChIKeyYNGGFUNKMBPTPS-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.05
Rot. Bonds9

About N-hydroxy-9-methylsulfanylnonan-1-imine oxide

N-hydroxy-9-methylsulfanylnonan-1-imine oxide (PubChem CID 123131533) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-hydroxy-9-methylsulfanylnonan-1-imine oxide.

Molecular Properties

Compound NameN-hydroxy-9-methylsulfanylnonan-1-imine oxide
PubChem CID123131533
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-hydroxy-9-methylsulfanylnonan-1-imine oxide
SMILESCSCCCCCCCC/C=[N+](\[O-])O
InChIInChI=1S/C10H21NO2S/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h9H,2-8,10H2,1H3,(H,12,13)
InChIKeyYNGGFUNKMBPTPS-UHFFFAOYSA-N
XLogP3.05
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-Methylthiooctanaldoxime
CID 25010745
(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
9-Methylthiononanaldoxime
CID 25010752
7-(Methylsulfanyl)heptanal oxime
CID 25010753
6-(Methylsulfanyl)hexanal oxime
CID 74388161
8-(Methylsulfanyl)octanal oxime
CID 74388157
9-(Methylsulfanyl)nonanal oxime
CID 74388159
1-(Methylsulfanyl)-8-aci-nitrooctane
CID 123131560
1-(Methylsulfanyl)-5-aci-nitropentane
CID 123131515
1-(Methylsulfanyl)-4-aci-nitrobutane
CID 123131522
1-(Methylsulfanyl)-6-aci-nitrohexane
CID 123131543
1-(Methylsulfanyl)-7-aci-nitroheptane
CID 123131559

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9-methylsulfanylnonan-1-imine oxide?
The IUPAC name of N-hydroxy-9-methylsulfanylnonan-1-imine oxide (CID 123131533) is N-hydroxy-9-methylsulfanylnonan-1-imine oxide.
What is the SMILES notation for N-hydroxy-9-methylsulfanylnonan-1-imine oxide?
The canonical SMILES for N-hydroxy-9-methylsulfanylnonan-1-imine oxide is CSCCCCCCCC/C=[N+](\[O-])O.
What is the InChIKey of N-hydroxy-9-methylsulfanylnonan-1-imine oxide?
The InChIKey is YNGGFUNKMBPTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14-10-8-6-4-2-3-5-7-9-11(12)13/h9H,2-8,10H2,1H3,(H,12,13).
What are the key properties of N-hydroxy-9-methylsulfanylnonan-1-imine oxide?
N-hydroxy-9-methylsulfanylnonan-1-imine oxide has a molecular weight of 219.35 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9-methylsulfanylnonan-1-imine oxide is sourced from PubChem (CID 123131533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).