ethyl 4-(morpholin-4-ylsulfonylamino)butanoate

C10H20N2O5S — CID 60714198

IUPACethyl 4-(morpholin-4-ylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O5S/c1-2-17-10(13)4-3-5-11-18(14,15)12-6-8-16-9-7-12/h11H,2-9H2,1H3
InChIKeySIUBNIDFLBPTHU-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.50
Rot. Bonds7

About ethyl 4-(morpholin-4-ylsulfonylamino)butanoate

ethyl 4-(morpholin-4-ylsulfonylamino)butanoate (PubChem CID 60714198) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 4-(morpholin-4-ylsulfonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(morpholin-4-ylsulfonylamino)butanoate
PubChem CID60714198
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nameethyl 4-(morpholin-4-ylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O5S/c1-2-17-10(13)4-3-5-11-18(14,15)12-6-8-16-9-7-12/h11H,2-9H2,1H3
InChIKeySIUBNIDFLBPTHU-UHFFFAOYSA-N
XLogP-0.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(morpholin-4-ylsulfonylamino)butanoate?
The IUPAC name of ethyl 4-(morpholin-4-ylsulfonylamino)butanoate (CID 60714198) is ethyl 4-(morpholin-4-ylsulfonylamino)butanoate.
What is the SMILES notation for ethyl 4-(morpholin-4-ylsulfonylamino)butanoate?
The canonical SMILES for ethyl 4-(morpholin-4-ylsulfonylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl 4-(morpholin-4-ylsulfonylamino)butanoate?
The InChIKey is SIUBNIDFLBPTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-2-17-10(13)4-3-5-11-18(14,15)12-6-8-16-9-7-12/h11H,2-9H2,1H3.
What are the key properties of ethyl 4-(morpholin-4-ylsulfonylamino)butanoate?
ethyl 4-(morpholin-4-ylsulfonylamino)butanoate has a molecular weight of 280.35 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(morpholin-4-ylsulfonylamino)butanoate is sourced from PubChem (CID 60714198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).