1-(oxan-2-yloxy)butane-1-sulfonamide

C9H19NO4S — CID 168766107

IUPAC1-(oxan-2-yloxy)butane-1-sulfonamide
SMILESCCCC(OC1CCCCO1)S(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-2-5-9(15(10,11)12)14-8-6-3-4-7-13-8/h8-9H,2-7H2,1H3,(H2,10,11,12)
InChIKeyJYJJMODMDWNSMW-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.94
Rot. Bonds5

About 1-(oxan-2-yloxy)butane-1-sulfonamide

1-(oxan-2-yloxy)butane-1-sulfonamide (PubChem CID 168766107) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)butane-1-sulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yloxy)butane-1-sulfonamide
PubChem CID168766107
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-(oxan-2-yloxy)butane-1-sulfonamide
SMILESCCCC(OC1CCCCO1)S(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-2-5-9(15(10,11)12)14-8-6-3-4-7-13-8/h8-9H,2-7H2,1H3,(H2,10,11,12)
InChIKeyJYJJMODMDWNSMW-UHFFFAOYSA-N
XLogP0.94
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)butane-1-sulfonamide?
The IUPAC name of 1-(oxan-2-yloxy)butane-1-sulfonamide (CID 168766107) is 1-(oxan-2-yloxy)butane-1-sulfonamide.
What is the SMILES notation for 1-(oxan-2-yloxy)butane-1-sulfonamide?
The canonical SMILES for 1-(oxan-2-yloxy)butane-1-sulfonamide is CCCC(OC1CCCCO1)S(N)(=O)=O.
What is the InChIKey of 1-(oxan-2-yloxy)butane-1-sulfonamide?
The InChIKey is JYJJMODMDWNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-2-5-9(15(10,11)12)14-8-6-3-4-7-13-8/h8-9H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-(oxan-2-yloxy)butane-1-sulfonamide?
1-(oxan-2-yloxy)butane-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)butane-1-sulfonamide is sourced from PubChem (CID 168766107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).