3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide

C10H23NO5S — CID 103407365

IUPAC3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
SMILESCOCCOCCCOCC(C)CS(N)(=O)=O
InChIInChI=1S/C10H23NO5S/c1-10(9-17(11,12)13)8-16-5-3-4-15-7-6-14-2/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQZHCXXUUDYZYFI-UHFFFAOYSA-N
MW269.36 g/mol
LogP-0.02
Rot. Bonds11

About 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide

3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide (PubChem CID 103407365) has the molecular formula C10H23NO5S and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
PubChem CID103407365
Molecular FormulaC10H23NO5S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
SMILESCOCCOCCCOCC(C)CS(N)(=O)=O
InChIInChI=1S/C10H23NO5S/c1-10(9-17(11,12)13)8-16-5-3-4-15-7-6-14-2/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQZHCXXUUDYZYFI-UHFFFAOYSA-N
XLogP-0.02
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 5-0.02
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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
2-ethyl-2-[3-(2-methoxyethoxy)propoxymethyl]butane-1-sulfonamide
CID 103407379
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
(2S)-1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylbutane-2-sulfonamide
CID 166760831
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide (CID 103407365) is 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide is COCCOCCCOCC(C)CS(N)(=O)=O.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide?
The InChIKey is QZHCXXUUDYZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5S/c1-10(9-17(11,12)13)8-16-5-3-4-15-7-6-14-2/h10H,3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide?
3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide has a molecular weight of 269.36 g/mol, XLogP of -0.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103407365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).