ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate

C7H16N2O6S2 — CID 61457286

IUPACethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O6S2/c1-2-15-7(10)6-17(13,14)9-4-3-5-16(8,11)12/h9H,2-6H2,1H3,(H2,8,11,12)
InChIKeyLVHQKRPILZHPJB-UHFFFAOYSA-N
MW288.35 g/mol
LogP-1.85
Rot. Bonds8

About ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate

ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate (PubChem CID 61457286) has the molecular formula C7H16N2O6S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
PubChem CID61457286
Molecular FormulaC7H16N2O6S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Nameethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O6S2/c1-2-15-7(10)6-17(13,14)9-4-3-5-16(8,11)12/h9H,2-6H2,1H3,(H2,8,11,12)
InChIKeyLVHQKRPILZHPJB-UHFFFAOYSA-N
XLogP-1.85
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-1.85
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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Related Compounds

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
ethyl 4-sulfamoylbutanoate
CID 61374945
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
ethyl 2-[4-(butylsulfamoylmethyl)phenyl]acetate
CID 58942884
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate (CID 61457286) is ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NCCCS(N)(=O)=O.
What is the InChIKey of ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate?
The InChIKey is LVHQKRPILZHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O6S2/c1-2-15-7(10)6-17(13,14)9-4-3-5-16(8,11)12/h9H,2-6H2,1H3,(H2,8,11,12).
What are the key properties of ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate?
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate has a molecular weight of 288.35 g/mol, XLogP of -1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate is sourced from PubChem (CID 61457286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).