4-(oxan-4-yl)butane-1-sulfonamide

C9H19NO3S — CID 165485464

IUPAC4-(oxan-4-yl)butane-1-sulfonamide
SMILESNS(=O)(=O)CCCCC1CCOCC1
InChIInChI=1S/C9H19NO3S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h9H,1-8H2,(H2,10,11,12)
InChIKeyHAJOKZQFJXNTLN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.87
Rot. Bonds5

About 4-(oxan-4-yl)butane-1-sulfonamide

4-(oxan-4-yl)butane-1-sulfonamide (PubChem CID 165485464) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(oxan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(oxan-4-yl)butane-1-sulfonamide
PubChem CID165485464
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(oxan-4-yl)butane-1-sulfonamide
SMILESNS(=O)(=O)CCCCC1CCOCC1
InChIInChI=1S/C9H19NO3S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h9H,1-8H2,(H2,10,11,12)
InChIKeyHAJOKZQFJXNTLN-UHFFFAOYSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-(oxan-4-yl)butane-1-sulfonamide (CID 165485464) is 4-(oxan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(oxan-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(oxan-4-yl)butane-1-sulfonamide is NS(=O)(=O)CCCCC1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)butane-1-sulfonamide?
The InChIKey is HAJOKZQFJXNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h9H,1-8H2,(H2,10,11,12).
What are the key properties of 4-(oxan-4-yl)butane-1-sulfonamide?
4-(oxan-4-yl)butane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 165485464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).