ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate

C9H18N2O6S — CID 114465524

IUPACethyl 4-(ethoxycarbonylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C9H18N2O6S/c1-3-16-8(12)6-5-7-10-18(14,15)11-9(13)17-4-2/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyBBFLCDFEANYERG-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.09
Rot. Bonds8

About ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate

ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate (PubChem CID 114465524) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(ethoxycarbonylsulfamoylamino)butanoate
PubChem CID114465524
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Nameethyl 4-(ethoxycarbonylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C9H18N2O6S/c1-3-16-8(12)6-5-7-10-18(14,15)11-9(13)17-4-2/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyBBFLCDFEANYERG-UHFFFAOYSA-N
XLogP-0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate (CID 114465524) is ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate?
The InChIKey is BBFLCDFEANYERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-3-16-8(12)6-5-7-10-18(14,15)11-9(13)17-4-2/h10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate?
ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate has a molecular weight of 282.32 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate is sourced from PubChem (CID 114465524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).