(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide

C11H25NO5S — CID 166760831

IUPAC(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
SMILESCOCCOCCOC[C@H](C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C11H25NO5S/c1-11(2,3)10(18(12,13)14)9-17-8-7-16-6-5-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)/t10-/m1/s1
InChIKeyYARBLTRSEVWKKQ-SNVBAGLBSA-N
MW283.39 g/mol
LogP0.37
Rot. Bonds9

About (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide

(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide (PubChem CID 166760831) has the molecular formula C11H25NO5S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
PubChem CID166760831
Molecular FormulaC11H25NO5S
Molecular Weight283.39 g/mol
Exact Mass283.15
IUPAC Name(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
SMILESCOCCOCCOC[C@H](C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C11H25NO5S/c1-11(2,3)10(18(12,13)14)9-17-8-7-16-6-5-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)/t10-/m1/s1
InChIKeyYARBLTRSEVWKKQ-SNVBAGLBSA-N
XLogP0.37
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.37
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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
CID 103407365
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
2,2-dimethylpentane-3-sulfonamide
CID 87086978
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)propanamide
CID 104565052

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide?
The IUPAC name of (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide (CID 166760831) is (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide.
What is the SMILES notation for (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide?
The canonical SMILES for (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide is COCCOCCOC[C@H](C(C)(C)C)S(N)(=O)=O.
What is the InChIKey of (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide?
The InChIKey is YARBLTRSEVWKKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25NO5S/c1-11(2,3)10(18(12,13)14)9-17-8-7-16-6-5-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)/t10-/m1/s1.
What are the key properties of (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide?
(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide is sourced from PubChem (CID 166760831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).