methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate

C9H18N2O5S — CID 54952641

IUPACmethyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H18N2O5S/c1-11(2)8(12)7-10-17(14,15)6-4-5-9(13)16-3/h10H,4-7H2,1-3H3
InChIKeyMVWPEGFLZLCJEZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-1.05
Rot. Bonds7

About methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate

methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate (PubChem CID 54952641) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
PubChem CID54952641
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H18N2O5S/c1-11(2)8(12)7-10-17(14,15)6-4-5-9(13)16-3/h10H,4-7H2,1-3H3
InChIKeyMVWPEGFLZLCJEZ-UHFFFAOYSA-N
XLogP-1.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 112691943
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate (CID 54952641) is methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCC(=O)N(C)C.
What is the InChIKey of methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate?
The InChIKey is MVWPEGFLZLCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-11(2)8(12)7-10-17(14,15)6-4-5-9(13)16-3/h10H,4-7H2,1-3H3.
What are the key properties of methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate?
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate has a molecular weight of 266.32 g/mol, XLogP of -1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate is sourced from PubChem (CID 54952641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).