methyl 3-(propan-2-ylsulfamoyl)propanoate

C7H15NO4S — CID 64590435

IUPACmethyl 3-(propan-2-ylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)8-13(10,11)5-4-7(9)12-3/h6,8H,4-5H2,1-3H3
InChIKeyWVZUXPJGEXCKRS-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.12
Rot. Bonds5

About methyl 3-(propan-2-ylsulfamoyl)propanoate

methyl 3-(propan-2-ylsulfamoyl)propanoate (PubChem CID 64590435) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 3-(propan-2-ylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(propan-2-ylsulfamoyl)propanoate
PubChem CID64590435
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 3-(propan-2-ylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC(C)C
InChIInChI=1S/C7H15NO4S/c1-6(2)8-13(10,11)5-4-7(9)12-3/h6,8H,4-5H2,1-3H3
InChIKeyWVZUXPJGEXCKRS-UHFFFAOYSA-N
XLogP-0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-cyanoethylsulfamoyl)propanoate
CID 61458553
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
methyl 3-(pent-1-yn-3-ylsulfamoyl)propanoate
CID 106228812
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 3-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]propanoate
CID 106353436
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
methyl 3-methoxysulfonylpropanoate
CID 11019488
methyl 3-sulfamoylpropanoate
CID 16787339

Frequently Asked Questions

What is the IUPAC name of methyl 3-(propan-2-ylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(propan-2-ylsulfamoyl)propanoate (CID 64590435) is methyl 3-(propan-2-ylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(propan-2-ylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(propan-2-ylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NC(C)C.
What is the InChIKey of methyl 3-(propan-2-ylsulfamoyl)propanoate?
The InChIKey is WVZUXPJGEXCKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(2)8-13(10,11)5-4-7(9)12-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 3-(propan-2-ylsulfamoyl)propanoate?
methyl 3-(propan-2-ylsulfamoyl)propanoate has a molecular weight of 209.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propan-2-ylsulfamoyl)propanoate is sourced from PubChem (CID 64590435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).