ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate

C8H18N2O4S — CID 112685988

IUPACethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-4-14-8(11)6-10(5-7(2)3)15(9,12)13/h7H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyRXLOVVGLFBAQKP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.29
Rot. Bonds6

About ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate

ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate (PubChem CID 112685988) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
PubChem CID112685988
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-4-14-8(11)6-10(5-7(2)3)15(9,12)13/h7H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyRXLOVVGLFBAQKP-UHFFFAOYSA-N
XLogP-0.29
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
1-[ethyl(sulfamoyl)amino]-2-methylpropane
CID 43273979
2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63064138
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107551
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 80578582
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate (CID 112685988) is ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate is CCOC(=O)CN(CC(C)C)S(N)(=O)=O.
What is the InChIKey of ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate?
The InChIKey is RXLOVVGLFBAQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-14-8(11)6-10(5-7(2)3)15(9,12)13/h7H,4-6H2,1-3H3,(H2,9,12,13).
What are the key properties of ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate?
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate has a molecular weight of 238.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate is sourced from PubChem (CID 112685988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).