2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide

C11H25NO4S — CID 106450633

IUPAC2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
SMILESCCC(COCCOCC(C)C)CS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-4-11(9-17(12,13)14)8-16-6-5-15-7-10(2)3/h10-11H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyCFUWAWYVSKSCHE-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.99
Rot. Bonds10

About 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide

2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide (PubChem CID 106450633) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
PubChem CID106450633
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
SMILESCCC(COCCOCC(C)C)CS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-4-11(9-17(12,13)14)8-16-6-5-15-7-10(2)3/h10-11H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyCFUWAWYVSKSCHE-UHFFFAOYSA-N
XLogP0.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.99
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

2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
CID 64999436
2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
2-(3,3-dimethylbutoxymethyl)pentane-1-sulfonamide
CID 66227328
2-(cyclopentyloxymethyl)butane-1-sulfonamide
CID 64999885
2-(2-methylpropoxy)ethyl 3-(aminomethyl)pentanoate
CID 106447989
2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
CID 64998872
3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
CID 65012689
2-methylpropane-1-sulfonamide
CID 10197726
2-methylpropyl sulfamate
CID 10219546
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
CID 103407365
2-(hexoxymethyl)-3-methylbutane-1-sulfonamide
CID 65013146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide (CID 106450633) is 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide is CCC(COCCOCC(C)C)CS(N)(=O)=O.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide?
The InChIKey is CFUWAWYVSKSCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-4-11(9-17(12,13)14)8-16-6-5-15-7-10(2)3/h10-11H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide?
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 106450633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).