methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate

C11H23NO6S — CID 79547273

IUPACmethyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
SMILESCCOC(CNS(=O)(=O)CCCC(=O)OC)OCC
InChIInChI=1S/C11H23NO6S/c1-4-17-11(18-5-2)9-12-19(14,15)8-6-7-10(13)16-3/h11-12H,4-9H2,1-3H3
InChIKeyCFTQYIJGVPHVHZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.26
Rot. Bonds11

About methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate

methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate (PubChem CID 79547273) has the molecular formula C11H23NO6S and a molecular weight of 297.37 g/mol. Its IUPAC name is methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
PubChem CID79547273
Molecular FormulaC11H23NO6S
Molecular Weight297.37 g/mol
Exact Mass297.12
IUPAC Namemethyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
SMILESCCOC(CNS(=O)(=O)CCCC(=O)OC)OCC
InChIInChI=1S/C11H23NO6S/c1-4-17-11(18-5-2)9-12-19(14,15)8-6-7-10(13)16-3/h11-12H,4-9H2,1-3H3
InChIKeyCFTQYIJGVPHVHZ-UHFFFAOYSA-N
XLogP0.26
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 112691943
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate (CID 79547273) is methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate is CCOC(CNS(=O)(=O)CCCC(=O)OC)OCC.
What is the InChIKey of methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate?
The InChIKey is CFTQYIJGVPHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6S/c1-4-17-11(18-5-2)9-12-19(14,15)8-6-7-10(13)16-3/h11-12H,4-9H2,1-3H3.
What are the key properties of methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate?
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate has a molecular weight of 297.37 g/mol, XLogP of 0.26, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate is sourced from PubChem (CID 79547273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).