5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide

C11H25NO4S — CID 112590353

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
SMILESCC(C)(C)OCCOCCCCCS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-11(2,3)16-9-8-15-7-5-4-6-10-17(12,13)14/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyUDGCUMQAVHYGCP-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.28
Rot. Bonds9

About 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide (PubChem CID 112590353) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
PubChem CID112590353
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
SMILESCC(C)(C)OCCOCCCCCS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-11(2,3)16-9-8-15-7-5-4-6-10-17(12,13)14/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyUDGCUMQAVHYGCP-UHFFFAOYSA-N
XLogP1.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
9-propoxynonane-1-sulfonamide
CID 105343921
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
8-(5,5-dimethyl-8-methylsulfonyloctoxy)-4,4-dimethyloctane-1-sulfonamide
CID 20805312
dodecane-1,12-disulfonamide
CID 57288842
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide (CID 112590353) is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide is CC(C)(C)OCCOCCCCCS(N)(=O)=O.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide?
The InChIKey is UDGCUMQAVHYGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,3)16-9-8-15-7-5-4-6-10-17(12,13)14/h4-10H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide?
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide is sourced from PubChem (CID 112590353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).