ethyl 4-(sulfamoylamino)butanoate

C6H14N2O4S — CID 112684052

IUPACethyl 4-(sulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-2-12-6(9)4-3-5-8-13(7,10)11/h8H,2-5H2,1H3,(H2,7,10,11)
InChIKeyONRNEQYERPLBEV-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.88
Rot. Bonds6

About ethyl 4-(sulfamoylamino)butanoate

ethyl 4-(sulfamoylamino)butanoate (PubChem CID 112684052) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is ethyl 4-(sulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(sulfamoylamino)butanoate
PubChem CID112684052
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Nameethyl 4-(sulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-2-12-6(9)4-3-5-8-13(7,10)11/h8H,2-5H2,1H3,(H2,7,10,11)
InChIKeyONRNEQYERPLBEV-UHFFFAOYSA-N
XLogP-0.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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-(sulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(sulfamoylamino)butanoate (CID 112684052) is ethyl 4-(sulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(sulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(sulfamoylamino)butanoate is CCOC(=O)CCCNS(N)(=O)=O.
What is the InChIKey of ethyl 4-(sulfamoylamino)butanoate?
The InChIKey is ONRNEQYERPLBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-2-12-6(9)4-3-5-8-13(7,10)11/h8H,2-5H2,1H3,(H2,7,10,11).
What are the key properties of ethyl 4-(sulfamoylamino)butanoate?
ethyl 4-(sulfamoylamino)butanoate has a molecular weight of 210.25 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(sulfamoylamino)butanoate is sourced from PubChem (CID 112684052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).