N-ethylethynesulfonamide

C4H7NO2S — CID 170149101

IUPACN-ethylethynesulfonamide
SMILESC#CS(=O)(=O)NCC
InChIInChI=1S/C4H7NO2S/c1-3-5-8(6,7)4-2/h2,5H,3H2,1H3
InChIKeyVPGPCMQFVUNTQC-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.48
Rot. Bonds2

About N-ethylethynesulfonamide

N-ethylethynesulfonamide (PubChem CID 170149101) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is N-ethylethynesulfonamide.

Molecular Properties

Compound NameN-ethylethynesulfonamide
PubChem CID170149101
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC NameN-ethylethynesulfonamide
SMILESC#CS(=O)(=O)NCC
InChIInChI=1S/C4H7NO2S/c1-3-5-8(6,7)4-2/h2,5H,3H2,1H3
InChIKeyVPGPCMQFVUNTQC-UHFFFAOYSA-N
XLogP-0.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethynesulfonamide?
The IUPAC name of N-ethylethynesulfonamide (CID 170149101) is N-ethylethynesulfonamide.
What is the SMILES notation for N-ethylethynesulfonamide?
The canonical SMILES for N-ethylethynesulfonamide is C#CS(=O)(=O)NCC.
What is the InChIKey of N-ethylethynesulfonamide?
The InChIKey is VPGPCMQFVUNTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-3-5-8(6,7)4-2/h2,5H,3H2,1H3.
What are the key properties of N-ethylethynesulfonamide?
N-ethylethynesulfonamide has a molecular weight of 133.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethynesulfonamide is sourced from PubChem (CID 170149101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).