N-(5-methylhexyl)oxane-4-sulfonamide

C12H25NO3S — CID 172505553

IUPACN-(5-methylhexyl)oxane-4-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)5-3-4-8-13-17(14,15)12-6-9-16-10-7-12/h11-13H,3-10H2,1-2H3
InChIKeyHUYOOKIPCCVFLI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.91
Rot. Bonds7

About N-(5-methylhexyl)oxane-4-sulfonamide

N-(5-methylhexyl)oxane-4-sulfonamide (PubChem CID 172505553) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(5-methylhexyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)oxane-4-sulfonamide
PubChem CID172505553
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(5-methylhexyl)oxane-4-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)5-3-4-8-13-17(14,15)12-6-9-16-10-7-12/h11-13H,3-10H2,1-2H3
InChIKeyHUYOOKIPCCVFLI-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.91
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 N-(5-methylhexyl)oxane-4-sulfonamide?
The IUPAC name of N-(5-methylhexyl)oxane-4-sulfonamide (CID 172505553) is N-(5-methylhexyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)oxane-4-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)oxane-4-sulfonamide is CC(C)CCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(5-methylhexyl)oxane-4-sulfonamide?
The InChIKey is HUYOOKIPCCVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)5-3-4-8-13-17(14,15)12-6-9-16-10-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(5-methylhexyl)oxane-4-sulfonamide?
N-(5-methylhexyl)oxane-4-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)oxane-4-sulfonamide is sourced from PubChem (CID 172505553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).