2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide

C13H29NO5S — CID 103407379

IUPAC2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
SMILESCCC(CC)(COCCCOCCOC)CS(N)(=O)=O
InChIInChI=1S/C13H29NO5S/c1-4-13(5-2,12-20(14,15)16)11-19-8-6-7-18-10-9-17-3/h4-12H2,1-3H3,(H2,14,15,16)
InChIKeyOFBIMZGPFHJPDZ-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.15
Rot. Bonds13

About 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide

2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide (PubChem CID 103407379) has the molecular formula C13H29NO5S and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
PubChem CID103407379
Molecular FormulaC13H29NO5S
Molecular Weight311.44 g/mol
Exact Mass311.18
IUPAC Name2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
SMILESCCC(CC)(COCCCOCCOC)CS(N)(=O)=O
InChIInChI=1S/C13H29NO5S/c1-4-13(5-2,12-20(14,15)16)11-19-8-6-7-18-10-9-17-3/h4-12H2,1-3H3,(H2,14,15,16)
InChIKeyOFBIMZGPFHJPDZ-UHFFFAOYSA-N
XLogP1.15
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-(methoxymethyl)butane-1-sulfonamide
CID 65003499
3-(2,2-Dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide
CID 89018971
2-Ethyl-2-[(2-ethyl-2-methylbutoxy)methyl]butane-1-sulfonamide
CID 89019073
2-Ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide
CID 89019082
2-Ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butane-1-sulfonamide
CID 89019090
3-[(2-Ethyl-2-methylbutoxy)methyl]pentane-3-sulfonamide
CID 89019155
2-Ethyl-2-[[2-ethyl-2-(sulfamoylmethyl)butoxy]methyl]butane-1-sulfonamide
CID 89373900
(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
CID 166760831
1-[2-(2-Methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
CID 175833039
2-[2-(3-Methylbutoxy)ethoxy]ethanesulfonamide
CID 64198476
2-Ethyl-2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64998707
2-(2-Propoxyethoxymethyl)butane-1-sulfonamide
CID 64999030

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide (CID 103407379) is 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide is CCC(CC)(COCCCOCCOC)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide?
The InChIKey is OFBIMZGPFHJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5S/c1-4-13(5-2,12-20(14,15)16)11-19-8-6-7-18-10-9-17-3/h4-12H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide?
2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide has a molecular weight of 311.44 g/mol, XLogP of 1.15, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 103407379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).