N-butylethynesulfonamide

C6H11NO2S — CID 118474793

IUPACN-butylethynesulfonamide
SMILESC#CS(=O)(=O)NCCCC
InChIInChI=1S/C6H11NO2S/c1-3-5-6-7-10(8,9)4-2/h2,7H,3,5-6H2,1H3
InChIKeyVZSAFTTWOKBPOK-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.30
Rot. Bonds4

About N-butylethynesulfonamide

N-butylethynesulfonamide (PubChem CID 118474793) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-butylethynesulfonamide.

Molecular Properties

Compound NameN-butylethynesulfonamide
PubChem CID118474793
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-butylethynesulfonamide
SMILESC#CS(=O)(=O)NCCCC
InChIInChI=1S/C6H11NO2S/c1-3-5-6-7-10(8,9)4-2/h2,7H,3,5-6H2,1H3
InChIKeyVZSAFTTWOKBPOK-UHFFFAOYSA-N
XLogP0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butylethynesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(but-3-yn-1-yl)methanesulfonamide
CID 56765734
N-(pent-4-yn-1-yl)methanesulfonamide
CID 103698107
N-butylmethanesulfonamide
CID 4447312
N-butylethanesulfonamide
CID 4644117
CID 58603006
CID 58603006
2-methyl-N-prop-2-ynylpropane-2-sulfonamide
CID 63687708
N-(3-aminopropyl)ethynesulfonamide
CID 118474791
N-propan-2-ylethynesulfonamide
CID 118474798
N-propylprop-1-yne-1-sulfonamide
CID 153929926
N-propan-2-ylprop-1-yne-1-sulfonamide
CID 162494750
N-(2-methylpropyl)prop-1-yne-1-sulfonamide
CID 168833670
N-(2-methylpropyl)ethynesulfonamide
CID 168833771

Frequently Asked Questions

What is the IUPAC name of N-butylethynesulfonamide?
The IUPAC name of N-butylethynesulfonamide (CID 118474793) is N-butylethynesulfonamide.
What is the SMILES notation for N-butylethynesulfonamide?
The canonical SMILES for N-butylethynesulfonamide is C#CS(=O)(=O)NCCCC.
What is the InChIKey of N-butylethynesulfonamide?
The InChIKey is VZSAFTTWOKBPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-5-6-7-10(8,9)4-2/h2,7H,3,5-6H2,1H3.
What are the key properties of N-butylethynesulfonamide?
N-butylethynesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylethynesulfonamide is sourced from PubChem (CID 118474793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).