nonanoyl(sulfanyl)azanium

C9H20NOS+ — CID 173416347

IUPACnonanoyl(sulfanyl)azanium
SMILESCCCCCCCCC(=O)[NH2+]S
InChIInChI=1S/C9H19NOS/c1-2-3-4-5-6-7-8-9(11)10-12/h12H,2-8H2,1H3,(H,10,11)/p+1
InChIKeyMENYWMFIWXUWLH-UHFFFAOYSA-O
MW190.33 g/mol
LogP1.67
Rot. Bonds7

About nonanoyl(sulfanyl)azanium

nonanoyl(sulfanyl)azanium (PubChem CID 173416347) has the molecular formula C9H20NOS+ and a molecular weight of 190.33 g/mol. Its IUPAC name is nonanoyl(sulfanyl)azanium.

Molecular Properties

Compound Namenonanoyl(sulfanyl)azanium
PubChem CID173416347
Molecular FormulaC9H20NOS+
Molecular Weight190.33 g/mol
Exact Mass190.13
IUPAC Namenonanoyl(sulfanyl)azanium
SMILESCCCCCCCCC(=O)[NH2+]S
InChIInChI=1S/C9H19NOS/c1-2-3-4-5-6-7-8-9(11)10-12/h12H,2-8H2,1H3,(H,10,11)/p+1
InChIKeyMENYWMFIWXUWLH-UHFFFAOYSA-O
XLogP1.67
TPSA33.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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
nonanoyl(sulfanyloxy)azanium
CID 173416365
dodecan-5-one
CID 29771
CID 87268776
CID 87268776
ethene;tridecan-7-one
CID 159715360

Frequently Asked Questions

What is the IUPAC name of nonanoyl(sulfanyl)azanium?
The IUPAC name of nonanoyl(sulfanyl)azanium (CID 173416347) is nonanoyl(sulfanyl)azanium.
What is the SMILES notation for nonanoyl(sulfanyl)azanium?
The canonical SMILES for nonanoyl(sulfanyl)azanium is CCCCCCCCC(=O)[NH2+]S.
What is the InChIKey of nonanoyl(sulfanyl)azanium?
The InChIKey is MENYWMFIWXUWLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NOS/c1-2-3-4-5-6-7-8-9(11)10-12/h12H,2-8H2,1H3,(H,10,11)/p+1.
What are the key properties of nonanoyl(sulfanyl)azanium?
nonanoyl(sulfanyl)azanium has a molecular weight of 190.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoyl(sulfanyl)azanium is sourced from PubChem (CID 173416347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).