N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide

C11H21NO3S — CID 106898849

IUPACN-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
SMILESC#CC(CCC)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H21NO3S/c1-5-7-11(6-2)12-16(13,14)9-8-15-10(3)4/h2,10-12H,5,7-9H2,1,3-4H3
InChIKeyZCMFPXYQBKVKKX-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.13
Rot. Bonds8

About N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide

N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide (PubChem CID 106898849) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
PubChem CID106898849
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
SMILESC#CC(CCC)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H21NO3S/c1-5-7-11(6-2)12-16(13,14)9-8-15-10(3)4/h2,10-12H,5,7-9H2,1,3-4H3
InChIKeyZCMFPXYQBKVKKX-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.13
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-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
2-(4-aminophenyl)sulfanyl-N-hex-1-yn-3-ylethanesulfonamide
CID 106223717
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
CID 106898864
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
methyl 3-(pent-1-yn-3-ylsulfamoyl)propanoate
CID 106228812
N-(2-tert-butylsulfonylethyl)hex-1-yn-3-amine
CID 106230146
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide (CID 106898849) is N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide is C#CC(CCC)NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ZCMFPXYQBKVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-5-7-11(6-2)12-16(13,14)9-8-15-10(3)4/h2,10-12H,5,7-9H2,1,3-4H3.
What are the key properties of N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide?
N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.13, 8 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-yl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106898849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).