disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium

C7H16NNa2O3S2+ — CID 172716474

IUPACdisodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
SMILESCN(C)CCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H17NO3S2.2Na/c1-8(2)6-4-3-5-7-12-13(9,10)11;;/h3-7H2,1-2H3,(H-,9,10,11);;/q;2*+1/p-1
InChIKeyFXVGWKTWMQBYSD-UHFFFAOYSA-M
MW272.32 g/mol
LogP-5.73
Rot. Bonds6

About disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium

disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium (PubChem CID 172716474) has the molecular formula C7H16NNa2O3S2+ and a molecular weight of 272.32 g/mol. Its IUPAC name is disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium.

Molecular Properties

Compound Namedisodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
PubChem CID172716474
Molecular FormulaC7H16NNa2O3S2+
Molecular Weight272.32 g/mol
Exact Mass272.04
IUPAC Namedisodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
SMILESCN(C)CCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H17NO3S2.2Na/c1-8(2)6-4-3-5-7-12-13(9,10)11;;/h3-7H2,1-2H3,(H-,9,10,11);;/q;2*+1/p-1
InChIKeyFXVGWKTWMQBYSD-UHFFFAOYSA-M
XLogP-5.73
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-5.73
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The IUPAC name of disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium (CID 172716474) is disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium.
What is the SMILES notation for disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The canonical SMILES for disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium is CN(C)CCCCC[S+]=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The InChIKey is FXVGWKTWMQBYSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO3S2.2Na/c1-8(2)6-4-3-5-7-12-13(9,10)11;;/h3-7H2,1-2H3,(H-,9,10,11);;/q;2*+1/p-1.
What are the key properties of disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium has a molecular weight of 272.32 g/mol, XLogP of -5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-(dimethylamino)pentyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium is sourced from PubChem (CID 172716474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).