methyl 4-(prop-2-enylsulfamoyl)butanoate

C8H15NO4S — CID 61460361

IUPACmethyl 4-(prop-2-enylsulfamoyl)butanoate
SMILESC=CCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C8H15NO4S/c1-3-6-9-14(11,12)7-4-5-8(10)13-2/h3,9H,1,4-7H2,2H3
InChIKeyVAAUOUJLIQKZSR-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.05
Rot. Bonds7

About methyl 4-(prop-2-enylsulfamoyl)butanoate

methyl 4-(prop-2-enylsulfamoyl)butanoate (PubChem CID 61460361) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 4-(prop-2-enylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(prop-2-enylsulfamoyl)butanoate
PubChem CID61460361
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namemethyl 4-(prop-2-enylsulfamoyl)butanoate
SMILESC=CCNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C8H15NO4S/c1-3-6-9-14(11,12)7-4-5-8(10)13-2/h3,9H,1,4-7H2,2H3
InChIKeyVAAUOUJLIQKZSR-UHFFFAOYSA-N
XLogP0.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
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-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 112691943

Frequently Asked Questions

What is the IUPAC name of methyl 4-(prop-2-enylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(prop-2-enylsulfamoyl)butanoate (CID 61460361) is methyl 4-(prop-2-enylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(prop-2-enylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(prop-2-enylsulfamoyl)butanoate is C=CCNS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(prop-2-enylsulfamoyl)butanoate?
The InChIKey is VAAUOUJLIQKZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-3-6-9-14(11,12)7-4-5-8(10)13-2/h3,9H,1,4-7H2,2H3.
What are the key properties of methyl 4-(prop-2-enylsulfamoyl)butanoate?
methyl 4-(prop-2-enylsulfamoyl)butanoate has a molecular weight of 221.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(prop-2-enylsulfamoyl)butanoate is sourced from PubChem (CID 61460361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).