[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane

C9H18N2O2S — CID 166665809

IUPAC[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane
SMILESC=CCC(C)N(CC1CC1)S(N)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-3-4-8(2)11(14(10,12)13)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H2,10,12,13)
InChIKeyOMQQBZVIVUYBTL-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.87
Rot. Bonds6

About [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane

[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane (PubChem CID 166665809) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane.

Molecular Properties

Compound Name[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane
PubChem CID166665809
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane
SMILESC=CCC(C)N(CC1CC1)S(N)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-3-4-8(2)11(14(10,12)13)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H2,10,12,13)
InChIKeyOMQQBZVIVUYBTL-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane?
The IUPAC name of [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane (CID 166665809) is [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane.
What is the SMILES notation for [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane?
The canonical SMILES for [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane is C=CCC(C)N(CC1CC1)S(N)(=O)=O.
What is the InChIKey of [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane?
The InChIKey is OMQQBZVIVUYBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-4-8(2)11(14(10,12)13)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H2,10,12,13).
What are the key properties of [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane?
[pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane has a molecular weight of 218.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [pent-4-en-2-yl(sulfamoyl)amino]methylcyclopropane is sourced from PubChem (CID 166665809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).