N-hex-1-yn-3-yloxane-4-sulfonamide

C11H19NO3S — CID 106898803

IUPACN-hex-1-yn-3-yloxane-4-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H19NO3S/c1-3-5-10(4-2)12-16(13,14)11-6-8-15-9-7-11/h2,10-12H,3,5-9H2,1H3
InChIKeyDHDZULSIEPYTQS-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.89
Rot. Bonds5

About N-hex-1-yn-3-yloxane-4-sulfonamide

N-hex-1-yn-3-yloxane-4-sulfonamide (PubChem CID 106898803) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-hex-1-yn-3-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yloxane-4-sulfonamide
PubChem CID106898803
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-hex-1-yn-3-yloxane-4-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H19NO3S/c1-3-5-10(4-2)12-16(13,14)11-6-8-15-9-7-11/h2,10-12H,3,5-9H2,1H3
InChIKeyDHDZULSIEPYTQS-UHFFFAOYSA-N
XLogP0.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopropyl)oxane-4-sulfonamide
CID 62048262
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
N-hex-5-yn-3-ylcyclopropanesulfonamide
CID 115650578
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
CID 114145876
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine
CID 106226251
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 104933880
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
4-methylsulfanyl-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 55031614

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yloxane-4-sulfonamide?
The IUPAC name of N-hex-1-yn-3-yloxane-4-sulfonamide (CID 106898803) is N-hex-1-yn-3-yloxane-4-sulfonamide.
What is the SMILES notation for N-hex-1-yn-3-yloxane-4-sulfonamide?
The canonical SMILES for N-hex-1-yn-3-yloxane-4-sulfonamide is C#CC(CCC)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-hex-1-yn-3-yloxane-4-sulfonamide?
The InChIKey is DHDZULSIEPYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-5-10(4-2)12-16(13,14)11-6-8-15-9-7-11/h2,10-12H,3,5-9H2,1H3.
What are the key properties of N-hex-1-yn-3-yloxane-4-sulfonamide?
N-hex-1-yn-3-yloxane-4-sulfonamide has a molecular weight of 245.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yloxane-4-sulfonamide is sourced from PubChem (CID 106898803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).