2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide

C11H23NO4S — CID 64998872

IUPAC2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC1CCOCC1)CS(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-2-10(9-17(12,13)14)7-16-8-11-3-5-15-6-4-11/h10-11H,2-9H2,1H3,(H2,12,13,14)
InChIKeyHTJOEGWLVKAYES-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.74
Rot. Bonds7

About 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide

2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide (PubChem CID 64998872) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
PubChem CID64998872
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC1CCOCC1)CS(N)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-2-10(9-17(12,13)14)7-16-8-11-3-5-15-6-4-11/h10-11H,2-9H2,1H3,(H2,12,13,14)
InChIKeyHTJOEGWLVKAYES-UHFFFAOYSA-N
XLogP0.74
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
CID 64999436
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
2-(cyclopentyloxymethyl)butane-1-sulfonamide
CID 64999885
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
CID 106450633
2-amino-3-(oxan-4-ylmethoxy)propanamide
CID 62384328
2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
CID 64999420
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
2-(bromomethyl)butoxymethylcyclohexane
CID 64995107
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide (CID 64998872) is 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide is CCC(COCC1CCOCC1)CS(N)(=O)=O.
What is the InChIKey of 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide?
The InChIKey is HTJOEGWLVKAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-2-10(9-17(12,13)14)7-16-8-11-3-5-15-6-4-11/h10-11H,2-9H2,1H3,(H2,12,13,14).
What are the key properties of 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide?
2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 64998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).