ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate

C11H24N2O4S — CID 54947154

IUPACethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-7-17-11(14)8-13(10(4)5)18(15,16)12(6)9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyWGIXYXPEQKTTDU-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.84
Rot. Bonds7

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

ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate (PubChem CID 54947154) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate
PubChem CID54947154
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-7-17-11(14)8-13(10(4)5)18(15,16)12(6)9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyWGIXYXPEQKTTDU-UHFFFAOYSA-N
XLogP0.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate (CID 54947154) is ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate?
The InChIKey is WGIXYXPEQKTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-7-17-11(14)8-13(10(4)5)18(15,16)12(6)9(2)3/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate?
ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate has a molecular weight of 280.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 54947154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).