4-(sulfamoylamino)but-1-yne

C4H8N2O2S — CID 112690850

IUPAC4-(sulfamoylamino)but-1-yne
SMILESC#CCCNS(N)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2,(H2,5,7,8)
InChIKeyKCLFVUOUFVKSDV-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.20
Rot. Bonds3

About 4-(sulfamoylamino)but-1-yne

4-(sulfamoylamino)but-1-yne (PubChem CID 112690850) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 4-(sulfamoylamino)but-1-yne.

Molecular Properties

Compound Name4-(sulfamoylamino)but-1-yne
PubChem CID112690850
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name4-(sulfamoylamino)but-1-yne
SMILESC#CCCNS(N)(=O)=O
InChIInChI=1S/C4H8N2O2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2,(H2,5,7,8)
InChIKeyKCLFVUOUFVKSDV-UHFFFAOYSA-N
XLogP-1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)but-1-yne?
The IUPAC name of 4-(sulfamoylamino)but-1-yne (CID 112690850) is 4-(sulfamoylamino)but-1-yne.
What is the SMILES notation for 4-(sulfamoylamino)but-1-yne?
The canonical SMILES for 4-(sulfamoylamino)but-1-yne is C#CCCNS(N)(=O)=O.
What is the InChIKey of 4-(sulfamoylamino)but-1-yne?
The InChIKey is KCLFVUOUFVKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-2-3-4-6-9(5,7)8/h1,6H,3-4H2,(H2,5,7,8).
What are the key properties of 4-(sulfamoylamino)but-1-yne?
4-(sulfamoylamino)but-1-yne has a molecular weight of 148.19 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)but-1-yne is sourced from PubChem (CID 112690850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).