nonanoyl(sulfanyloxy)azanium

C9H20NO2S+ — CID 173416365

IUPACnonanoyl(sulfanyloxy)azanium
SMILESCCCCCCCCC(=O)[NH2+]OS
InChIInChI=1S/C9H19NO2S/c1-2-3-4-5-6-7-8-9(11)10-12-13/h13H,2-8H2,1H3,(H,10,11)/p+1
InChIKeyNBTBKHFDVQVAMU-UHFFFAOYSA-O
MW206.33 g/mol
LogP1.60
Rot. Bonds8

About nonanoyl(sulfanyloxy)azanium

nonanoyl(sulfanyloxy)azanium (PubChem CID 173416365) has the molecular formula C9H20NO2S+ and a molecular weight of 206.33 g/mol. Its IUPAC name is nonanoyl(sulfanyloxy)azanium.

Molecular Properties

Compound Namenonanoyl(sulfanyloxy)azanium
PubChem CID173416365
Molecular FormulaC9H20NO2S+
Molecular Weight206.33 g/mol
Exact Mass206.12
IUPAC Namenonanoyl(sulfanyloxy)azanium
SMILESCCCCCCCCC(=O)[NH2+]OS
InChIInChI=1S/C9H19NO2S/c1-2-3-4-5-6-7-8-9(11)10-12-13/h13H,2-8H2,1H3,(H,10,11)/p+1
InChIKeyNBTBKHFDVQVAMU-UHFFFAOYSA-O
XLogP1.60
TPSA42.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze nonanoyl(sulfanyloxy)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonanoyl(sulfanyl)azanium
CID 173416347
di(octadecanoyl)azanium bromide
CID 141010029
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
sulfanyl heptanoate
CID 57174280
dodecan-5-one
CID 29771
heptacosane-10,12-dione
CID 14235516

Frequently Asked Questions

What is the IUPAC name of nonanoyl(sulfanyloxy)azanium?
The IUPAC name of nonanoyl(sulfanyloxy)azanium (CID 173416365) is nonanoyl(sulfanyloxy)azanium.
What is the SMILES notation for nonanoyl(sulfanyloxy)azanium?
The canonical SMILES for nonanoyl(sulfanyloxy)azanium is CCCCCCCCC(=O)[NH2+]OS.
What is the InChIKey of nonanoyl(sulfanyloxy)azanium?
The InChIKey is NBTBKHFDVQVAMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-4-5-6-7-8-9(11)10-12-13/h13H,2-8H2,1H3,(H,10,11)/p+1.
What are the key properties of nonanoyl(sulfanyloxy)azanium?
nonanoyl(sulfanyloxy)azanium has a molecular weight of 206.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoyl(sulfanyloxy)azanium is sourced from PubChem (CID 173416365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).