2-aminopent-4-ene-1-sulfonamide

C5H12N2O2S — CID 87987680

IUPAC2-aminopent-4-ene-1-sulfonamide
SMILESC=CCC(N)CS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-5(6)4-10(7,8)9/h2,5H,1,3-4,6H2,(H2,7,8,9)
InChIKeyYDGGPYGBNBDQLL-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.82
Rot. Bonds4

About 2-aminopent-4-ene-1-sulfonamide

2-aminopent-4-ene-1-sulfonamide (PubChem CID 87987680) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-aminopent-4-ene-1-sulfonamide.

Molecular Properties

Compound Name2-aminopent-4-ene-1-sulfonamide
PubChem CID87987680
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-aminopent-4-ene-1-sulfonamide
SMILESC=CCC(N)CS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-3-5(6)4-10(7,8)9/h2,5H,1,3-4,6H2,(H2,7,8,9)
InChIKeyYDGGPYGBNBDQLL-UHFFFAOYSA-N
XLogP-0.82
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopent-4-ene-1-sulfonamide?
The IUPAC name of 2-aminopent-4-ene-1-sulfonamide (CID 87987680) is 2-aminopent-4-ene-1-sulfonamide.
What is the SMILES notation for 2-aminopent-4-ene-1-sulfonamide?
The canonical SMILES for 2-aminopent-4-ene-1-sulfonamide is C=CCC(N)CS(N)(=O)=O.
What is the InChIKey of 2-aminopent-4-ene-1-sulfonamide?
The InChIKey is YDGGPYGBNBDQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-3-5(6)4-10(7,8)9/h2,5H,1,3-4,6H2,(H2,7,8,9).
What are the key properties of 2-aminopent-4-ene-1-sulfonamide?
2-aminopent-4-ene-1-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-ene-1-sulfonamide is sourced from PubChem (CID 87987680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).