methyl 2-(2-sulfamoylethylsulfamoyl)propanoate

C6H14N2O6S2 — CID 61459354

IUPACmethyl 2-(2-sulfamoylethylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H14N2O6S2/c1-5(6(9)14-2)16(12,13)8-3-4-15(7,10)11/h5,8H,3-4H2,1-2H3,(H2,7,10,11)
InChIKeyCEXXADJPVQTYSS-UHFFFAOYSA-N
MW274.32 g/mol
LogP-2.24
Rot. Bonds6

About methyl 2-(2-sulfamoylethylsulfamoyl)propanoate

methyl 2-(2-sulfamoylethylsulfamoyl)propanoate (PubChem CID 61459354) has the molecular formula C6H14N2O6S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-(2-sulfamoylethylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-sulfamoylethylsulfamoyl)propanoate
PubChem CID61459354
Molecular FormulaC6H14N2O6S2
Molecular Weight274.32 g/mol
Exact Mass274.03
IUPAC Namemethyl 2-(2-sulfamoylethylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H14N2O6S2/c1-5(6(9)14-2)16(12,13)8-3-4-15(7,10)11/h5,8H,3-4H2,1-2H3,(H2,7,10,11)
InChIKeyCEXXADJPVQTYSS-UHFFFAOYSA-N
XLogP-2.24
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
CID 54951523
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912
methyl 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylsulfamoyl]propanoate
CID 65121253
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-sulfamoylethylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(2-sulfamoylethylsulfamoyl)propanoate (CID 61459354) is methyl 2-(2-sulfamoylethylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(2-sulfamoylethylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(2-sulfamoylethylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of methyl 2-(2-sulfamoylethylsulfamoyl)propanoate?
The InChIKey is CEXXADJPVQTYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O6S2/c1-5(6(9)14-2)16(12,13)8-3-4-15(7,10)11/h5,8H,3-4H2,1-2H3,(H2,7,10,11).
What are the key properties of methyl 2-(2-sulfamoylethylsulfamoyl)propanoate?
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate has a molecular weight of 274.32 g/mol, XLogP of -2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-sulfamoylethylsulfamoyl)propanoate is sourced from PubChem (CID 61459354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).