ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate

C11H22N2O4S — CID 54951121

IUPACethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C11H22N2O4S/c1-2-17-11(14)6-9-18(15,16)13-8-3-7-12-10-4-5-10/h10,12-13H,2-9H2,1H3
InChIKeyHQUJWXGRRVIOJY-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.00
Rot. Bonds10

About ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate

ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate (PubChem CID 54951121) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
PubChem CID54951121
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C11H22N2O4S/c1-2-17-11(14)6-9-18(15,16)13-8-3-7-12-10-4-5-10/h10,12-13H,2-9H2,1H3
InChIKeyHQUJWXGRRVIOJY-UHFFFAOYSA-N
XLogP0.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate 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 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
ethyl 3-(2-cyanoethylsulfamoyl)propanoate
CID 62653299
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
CID 54951423
methyl 3-[3-(4-aminocyclohexyl)oxypropylsulfamoyl]propanoate
CID 63869662
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate (CID 54951121) is ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCCCNC1CC1.
What is the InChIKey of ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate?
The InChIKey is HQUJWXGRRVIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-17-11(14)6-9-18(15,16)13-8-3-7-12-10-4-5-10/h10,12-13H,2-9H2,1H3.
What are the key properties of ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate?
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate has a molecular weight of 278.37 g/mol, XLogP of 0.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate is sourced from PubChem (CID 54951121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).