N-hex-5-yn-3-ylcyclopropanesulfonamide

C9H15NO2S — CID 115650578

IUPACN-hex-5-yn-3-ylcyclopropanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO2S/c1-3-5-8(4-2)10-13(11,12)9-6-7-9/h1,8-10H,4-7H2,2H3
InChIKeyQWOMXGIDEZQQPP-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.87
Rot. Bonds5

About N-hex-5-yn-3-ylcyclopropanesulfonamide

N-hex-5-yn-3-ylcyclopropanesulfonamide (PubChem CID 115650578) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-hex-5-yn-3-ylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-ylcyclopropanesulfonamide
PubChem CID115650578
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-hex-5-yn-3-ylcyclopropanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO2S/c1-3-5-8(4-2)10-13(11,12)9-6-7-9/h1,8-10H,4-7H2,2H3
InChIKeyQWOMXGIDEZQQPP-UHFFFAOYSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]cyclopropanesulfonamide
CID 104982018
N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
CID 115650577
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
1-(hex-5-yn-3-ylsulfamoyl)piperidine-4-carboxylic acid
CID 113477031
N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide
CID 115650528
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-hex-5-yn-3-yl-2-methylsulfonylethanesulfonamide
CID 115650472
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
CID 114466108
N-(1-cyanopropyl)oxane-4-sulfonamide
CID 62048262
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
N-hex-5-yn-3-ylcyclooctanecarboxamide
CID 115647391

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-ylcyclopropanesulfonamide?
The IUPAC name of N-hex-5-yn-3-ylcyclopropanesulfonamide (CID 115650578) is N-hex-5-yn-3-ylcyclopropanesulfonamide.
What is the SMILES notation for N-hex-5-yn-3-ylcyclopropanesulfonamide?
The canonical SMILES for N-hex-5-yn-3-ylcyclopropanesulfonamide is C#CCC(CC)NS(=O)(=O)C1CC1.
What is the InChIKey of N-hex-5-yn-3-ylcyclopropanesulfonamide?
The InChIKey is QWOMXGIDEZQQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-5-8(4-2)10-13(11,12)9-6-7-9/h1,8-10H,4-7H2,2H3.
What are the key properties of N-hex-5-yn-3-ylcyclopropanesulfonamide?
N-hex-5-yn-3-ylcyclopropanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-ylcyclopropanesulfonamide is sourced from PubChem (CID 115650578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).