N-(oxan-4-yl)hexane-1-sulfonamide

C11H23NO3S — CID 155392193

IUPACN-(oxan-4-yl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-5-10-16(13,14)12-11-6-8-15-9-7-11/h11-12H,2-10H2,1H3
InChIKeyOTNOVLXHURMTSX-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.67
Rot. Bonds7

About N-(oxan-4-yl)hexane-1-sulfonamide

N-(oxan-4-yl)hexane-1-sulfonamide (PubChem CID 155392193) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(oxan-4-yl)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)hexane-1-sulfonamide
PubChem CID155392193
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(oxan-4-yl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-5-10-16(13,14)12-11-6-8-15-9-7-11/h11-12H,2-10H2,1H3
InChIKeyOTNOVLXHURMTSX-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.67
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

N-cyclopentyloxane-4-sulfonamide
CID 56824320
N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75439666
N-(oxan-4-yl)methanesulfonamide
CID 57747903
N-(oxan-4-yl)propane-2-sulfonamide
CID 61355877
N-(Oxan-4-YL)ethane-1-sulfonamide
CID 61356037
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
N-ethyltetrahydro-2H-pyran-4-sulfonamide
CID 62047713
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
N-(oxan-4-yl)butane-1-sulfonamide
CID 110726870
3-ethoxy-N-propan-2-ylpropane-1-sulfonamide
CID 118884460
N-propan-2-yl-3-propoxypropane-1-sulfonamide
CID 118884464
N-butan-2-yl-3-ethoxypropane-1-sulfonamide
CID 132093076

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)hexane-1-sulfonamide?
The IUPAC name of N-(oxan-4-yl)hexane-1-sulfonamide (CID 155392193) is N-(oxan-4-yl)hexane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)hexane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)hexane-1-sulfonamide is CCCCCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)hexane-1-sulfonamide?
The InChIKey is OTNOVLXHURMTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-3-4-5-10-16(13,14)12-11-6-8-15-9-7-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(oxan-4-yl)hexane-1-sulfonamide?
N-(oxan-4-yl)hexane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)hexane-1-sulfonamide is sourced from PubChem (CID 155392193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).