ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate

C10H20N2O4S — CID 60723964

IUPACethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-2-16-10(13)6-5-7-11-17(14,15)12-8-3-4-9-12/h11H,2-9H2,1H3
InChIKeyKSQMTFOGLWEMIH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.26
Rot. Bonds7

About ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate

ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate (PubChem CID 60723964) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate
PubChem CID60723964
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-2-16-10(13)6-5-7-11-17(14,15)12-8-3-4-9-12/h11H,2-9H2,1H3
InChIKeyKSQMTFOGLWEMIH-UHFFFAOYSA-N
XLogP0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyrrolidin-1-ylsulfonylamino)butanoate?
The IUPAC name of ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate (CID 60723964) is ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate.
What is the SMILES notation for ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate?
The canonical SMILES for ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate?
The InChIKey is KSQMTFOGLWEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-2-16-10(13)6-5-7-11-17(14,15)12-8-3-4-9-12/h11H,2-9H2,1H3.
What are the key properties of ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate?
ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate has a molecular weight of 264.35 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate is sourced from PubChem (CID 60723964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).