disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium

C10H22NNa2O3S2+ — CID 172702866

IUPACdisodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium
SMILESCNCCCCCCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C10H23NO3S2.2Na/c1-11-9-7-5-3-2-4-6-8-10-15-16(12,13)14;;/h11H,2-10H2,1H3,(H-,12,13,14);;/q;2*+1/p-1
InChIKeyDESWHFFUUSWLCT-UHFFFAOYSA-M
MW314.40 g/mol
LogP-4.51
Rot. Bonds10

About disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium

disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium (PubChem CID 172702866) has the molecular formula C10H22NNa2O3S2+ and a molecular weight of 314.40 g/mol. Its IUPAC name is disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium.

Molecular Properties

Compound Namedisodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium
PubChem CID172702866
Molecular FormulaC10H22NNa2O3S2+
Molecular Weight314.40 g/mol
Exact Mass314.08
IUPAC Namedisodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium
SMILESCNCCCCCCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C10H23NO3S2.2Na/c1-11-9-7-5-3-2-4-6-8-10-15-16(12,13)14;;/h11H,2-10H2,1H3,(H-,12,13,14);;/q;2*+1/p-1
InChIKeyDESWHFFUUSWLCT-UHFFFAOYSA-M
XLogP-4.51
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 5-4.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;9-aminononyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
CID 172818005
disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
CID 172716474
lithium 3-(methylamino)propane-1-sulfonate
CID 118522959
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
sodium 2-(methylamino)ethanesulfonate
CID 23684896
3-[dimethyl-[11-(methylamino)undecyl]azaniumyl]propane-1-sulfonate
CID 150280621
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
9-(methylamino)nonyl methanesulfonate
CID 122424861
methyl hydrogen sulfate;N-methyltetradecan-1-amine
CID 173229192
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-methyltriacontan-1-amine
CID 19840895
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567

Frequently Asked Questions

What is the IUPAC name of disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium?
The IUPAC name of disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium (CID 172702866) is disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium.
What is the SMILES notation for disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium?
The canonical SMILES for disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium is CNCCCCCCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium?
The InChIKey is DESWHFFUUSWLCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO3S2.2Na/c1-11-9-7-5-3-2-4-6-8-10-15-16(12,13)14;;/h11H,2-10H2,1H3,(H-,12,13,14);;/q;2*+1/p-1.
What are the key properties of disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium?
disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium has a molecular weight of 314.40 g/mol, XLogP of -4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[dioxido(oxo)-λ6-sulfanylidene]-[9-(methylamino)nonyl]sulfanium is sourced from PubChem (CID 172702866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).