ethyl 4-(cyclopropylmethylsulfonylamino)butanoate

C10H19NO4S — CID 64988986

IUPACethyl 4-(cyclopropylmethylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C10H19NO4S/c1-2-15-10(12)4-3-7-11-16(13,14)8-9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyKEZVPHYTKXAIRR-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.66
Rot. Bonds8

About ethyl 4-(cyclopropylmethylsulfonylamino)butanoate

ethyl 4-(cyclopropylmethylsulfonylamino)butanoate (PubChem CID 64988986) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethylsulfonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethylsulfonylamino)butanoate
PubChem CID64988986
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Nameethyl 4-(cyclopropylmethylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C10H19NO4S/c1-2-15-10(12)4-3-7-11-16(13,14)8-9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyKEZVPHYTKXAIRR-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(cyclopropylmethylsulfonylamino)butanoate 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

methyl 3-(cyclopropylmethylsulfonylamino)propanoate
CID 64989493
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
ethyl 4-[(4-aminophenyl)methylsulfonylamino]butanoate
CID 64575379
methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343105
ethyl 4-[(3-aminophenyl)methylsulfonylamino]butanoate
CID 64576918
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethylsulfonylamino)butanoate?
The IUPAC name of ethyl 4-(cyclopropylmethylsulfonylamino)butanoate (CID 64988986) is ethyl 4-(cyclopropylmethylsulfonylamino)butanoate.
What is the SMILES notation for ethyl 4-(cyclopropylmethylsulfonylamino)butanoate?
The canonical SMILES for ethyl 4-(cyclopropylmethylsulfonylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)CC1CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethylsulfonylamino)butanoate?
The InChIKey is KEZVPHYTKXAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-15-10(12)4-3-7-11-16(13,14)8-9-5-6-9/h9,11H,2-8H2,1H3.
What are the key properties of ethyl 4-(cyclopropylmethylsulfonylamino)butanoate?
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate has a molecular weight of 249.33 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethylsulfonylamino)butanoate is sourced from PubChem (CID 64988986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).