5,5-diethylnonane-1-sulfonamide

C13H29NO2S — CID 57243895

IUPAC5,5-diethylnonane-1-sulfonamide
SMILESCCCCC(CC)(CC)CCCCS(N)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-7-10-13(5-2,6-3)11-8-9-12-17(14,15)16/h4-12H2,1-3H3,(H2,14,15,16)
InChIKeyVYKVLJCSDMKKHU-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.44
Rot. Bonds10

About 5,5-diethylnonane-1-sulfonamide

5,5-diethylnonane-1-sulfonamide (PubChem CID 57243895) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 5,5-diethylnonane-1-sulfonamide.

Molecular Properties

Compound Name5,5-diethylnonane-1-sulfonamide
PubChem CID57243895
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name5,5-diethylnonane-1-sulfonamide
SMILESCCCCC(CC)(CC)CCCCS(N)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-7-10-13(5-2,6-3)11-8-9-12-17(14,15)16/h4-12H2,1-3H3,(H2,14,15,16)
InChIKeyVYKVLJCSDMKKHU-UHFFFAOYSA-N
XLogP3.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
CID 10727803
pentacosane-1-sulfonamide
CID 149252389
3,3-diethylpentane-1-sulfonamide
CID 154281864
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
4,4-diethyloctane;ethane
CID 177031380
7-butyl-7-ethyltetradecane
CID 174665936
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
4-(bromomethyl)-4-ethyl-1-ethylsulfonyloctane
CID 66048272
dodecane-1,12-disulfonamide
CID 57288842

Frequently Asked Questions

What is the IUPAC name of 5,5-diethylnonane-1-sulfonamide?
The IUPAC name of 5,5-diethylnonane-1-sulfonamide (CID 57243895) is 5,5-diethylnonane-1-sulfonamide.
What is the SMILES notation for 5,5-diethylnonane-1-sulfonamide?
The canonical SMILES for 5,5-diethylnonane-1-sulfonamide is CCCCC(CC)(CC)CCCCS(N)(=O)=O.
What is the InChIKey of 5,5-diethylnonane-1-sulfonamide?
The InChIKey is VYKVLJCSDMKKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-4-7-10-13(5-2,6-3)11-8-9-12-17(14,15)16/h4-12H2,1-3H3,(H2,14,15,16).
What are the key properties of 5,5-diethylnonane-1-sulfonamide?
5,5-diethylnonane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethylnonane-1-sulfonamide is sourced from PubChem (CID 57243895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).