3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide

C11H25NO3S — CID 65012689

IUPAC3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
SMILESCC(C)CCOCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)5-6-15-7-11(10(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeySLZJECPXPUDDOK-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.61
Rot. Bonds8

About 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide

3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide (PubChem CID 65012689) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
PubChem CID65012689
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
SMILESCC(C)CCOCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)5-6-15-7-11(10(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeySLZJECPXPUDDOK-UHFFFAOYSA-N
XLogP1.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexoxymethyl)-3-methylbutane-1-sulfonamide
CID 65013146
3-methyl-2-(4,4,4-trifluorobutoxymethyl)butane-1-sulfonamide
CID 82795242
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
CID 106450633
2-[(2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012785
2-methylpropane-1-sulfonamide
CID 10197726
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-[(4-bromo-2-fluorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65011633
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012378
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide (CID 65012689) is 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide is CC(C)CCOCC(CS(N)(=O)=O)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide?
The InChIKey is SLZJECPXPUDDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-9(2)5-6-15-7-11(10(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide?
3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 65012689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).