9-propoxynonane-1-sulfonamide

C12H27NO3S — CID 105343921

IUPAC9-propoxynonane-1-sulfonamide
SMILESCCCOCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-2-10-16-11-8-6-4-3-5-7-9-12-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKeyLGQGYNGCCFZSKM-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.43
Rot. Bonds12

About 9-propoxynonane-1-sulfonamide

9-propoxynonane-1-sulfonamide (PubChem CID 105343921) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 9-propoxynonane-1-sulfonamide.

Molecular Properties

Compound Name9-propoxynonane-1-sulfonamide
PubChem CID105343921
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name9-propoxynonane-1-sulfonamide
SMILESCCCOCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-2-10-16-11-8-6-4-3-5-7-9-12-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKeyLGQGYNGCCFZSKM-UHFFFAOYSA-N
XLogP2.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
CID 112590353
pentacosane-1-sulfonamide
CID 149252389
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
dodecane-1,12-disulfonamide
CID 57288842
9-(1-ethoxypropan-2-yloxy)nonane-1-sulfonamide
CID 103491019
6-(cyclopentylmethoxy)hexane-1-sulfonamide
CID 66322939
butane-1-sulfonamide;dihydrochloride
CID 140980497
azane;1-propoxyoctane
CID 88631627
CID 175918224
CID 175918224
sodium 4-(2-octadecoxyethoxy)butane-1-sulfonate
CID 153455572
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845

Frequently Asked Questions

What is the IUPAC name of 9-propoxynonane-1-sulfonamide?
The IUPAC name of 9-propoxynonane-1-sulfonamide (CID 105343921) is 9-propoxynonane-1-sulfonamide.
What is the SMILES notation for 9-propoxynonane-1-sulfonamide?
The canonical SMILES for 9-propoxynonane-1-sulfonamide is CCCOCCCCCCCCCS(N)(=O)=O.
What is the InChIKey of 9-propoxynonane-1-sulfonamide?
The InChIKey is LGQGYNGCCFZSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-2-10-16-11-8-6-4-3-5-7-9-12-17(13,14)15/h2-12H2,1H3,(H2,13,14,15).
What are the key properties of 9-propoxynonane-1-sulfonamide?
9-propoxynonane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propoxynonane-1-sulfonamide is sourced from PubChem (CID 105343921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).