1-[dihydroxy(oxido)azaniumyl]sulfonyldecane

C10H23NO5S — CID 87874320

IUPAC1-[dihydroxy(oxido)azaniumyl]sulfonyldecane
SMILESCCCCCCCCCCS(=O)(=O)[N+]([O-])(O)O
InChIInChI=1S/C10H23NO5S/c1-2-3-4-5-6-7-8-9-10-17(15,16)11(12,13)14/h12-13H,2-10H2,1H3
InChIKeyJSTDYKZHLBSNAN-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.55
Rot. Bonds10

About 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane

1-[dihydroxy(oxido)azaniumyl]sulfonyldecane (PubChem CID 87874320) has the molecular formula C10H23NO5S and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane.

Molecular Properties

Compound Name1-[dihydroxy(oxido)azaniumyl]sulfonyldecane
PubChem CID87874320
Molecular FormulaC10H23NO5S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC Name1-[dihydroxy(oxido)azaniumyl]sulfonyldecane
SMILESCCCCCCCCCCS(=O)(=O)[N+]([O-])(O)O
InChIInChI=1S/C10H23NO5S/c1-2-3-4-5-6-7-8-9-10-17(15,16)11(12,13)14/h12-13H,2-10H2,1H3
InChIKeyJSTDYKZHLBSNAN-UHFFFAOYSA-N
XLogP2.55
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 21277428
CID 21277428
decane-1-sulfonic acid
CID 157391186
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
octylsulfonylmethanol
CID 71381698
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
decane-1-sulfonic acid;silver
CID 72587294
aluminum tris(octadecane-1-sulfonate)
CID 158491370

Frequently Asked Questions

What is the IUPAC name of 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane?
The IUPAC name of 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane (CID 87874320) is 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane.
What is the SMILES notation for 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane?
The canonical SMILES for 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane is CCCCCCCCCCS(=O)(=O)[N+]([O-])(O)O.
What is the InChIKey of 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane?
The InChIKey is JSTDYKZHLBSNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5S/c1-2-3-4-5-6-7-8-9-10-17(15,16)11(12,13)14/h12-13H,2-10H2,1H3.
What are the key properties of 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane?
1-[dihydroxy(oxido)azaniumyl]sulfonyldecane has a molecular weight of 269.36 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dihydroxy(oxido)azaniumyl]sulfonyldecane is sourced from PubChem (CID 87874320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).