methyl 2-[propan-2-yl(sulfamoyl)amino]acetate

C6H14N2O4S — CID 61074091

IUPACmethyl 2-[propan-2-yl(sulfamoyl)amino]acetate
SMILESCOC(=O)CN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-5(2)8(13(7,10)11)4-6(9)12-3/h5H,4H2,1-3H3,(H2,7,10,11)
InChIKeyHLNQMZPAAKQQGK-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.93
Rot. Bonds4

About methyl 2-[propan-2-yl(sulfamoyl)amino]acetate

methyl 2-[propan-2-yl(sulfamoyl)amino]acetate (PubChem CID 61074091) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(sulfamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(sulfamoyl)amino]acetate
PubChem CID61074091
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-[propan-2-yl(sulfamoyl)amino]acetate
SMILESCOC(=O)CN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-5(2)8(13(7,10)11)4-6(9)12-3/h5H,4H2,1-3H3,(H2,7,10,11)
InChIKeyHLNQMZPAAKQQGK-UHFFFAOYSA-N
XLogP-0.93
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
CID 115969655
methyl 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61106640
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
methyl 2-[(3-amino-2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 79885046
methyl 2-[[(2S)-butan-2-yl]-cyclopropylsulfonylamino]acetate
CID 129434074
methyl 2-[amino(methylsulfonyl)amino]acetate
CID 123175216
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 55005731
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(sulfamoyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(sulfamoyl)amino]acetate (CID 61074091) is methyl 2-[propan-2-yl(sulfamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(sulfamoyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(sulfamoyl)amino]acetate is COC(=O)CN(C(C)C)S(N)(=O)=O.
What is the InChIKey of methyl 2-[propan-2-yl(sulfamoyl)amino]acetate?
The InChIKey is HLNQMZPAAKQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-5(2)8(13(7,10)11)4-6(9)12-3/h5H,4H2,1-3H3,(H2,7,10,11).
What are the key properties of methyl 2-[propan-2-yl(sulfamoyl)amino]acetate?
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate has a molecular weight of 210.25 g/mol, XLogP of -0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(sulfamoyl)amino]acetate is sourced from PubChem (CID 61074091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).