ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate

C8H18N2O4S — CID 62686433

IUPACethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CCN
InChIInChI=1S/C8H18N2O4S/c1-3-14-8(11)4-7-15(12,13)10(2)6-5-9/h3-7,9H2,1-2H3
InChIKeyYVEHNMNCOBEYFJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.84
Rot. Bonds7

About ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate

ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate (PubChem CID 62686433) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
PubChem CID62686433
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Nameethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CCN
InChIInChI=1S/C8H18N2O4S/c1-3-14-8(11)4-7-15(12,13)10(2)6-5-9/h3-7,9H2,1-2H3
InChIKeyYVEHNMNCOBEYFJ-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3-amino-4-methylpentyl)-methylsulfamoyl]propanoate
CID 115317613
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 54998323
2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818554
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
2-[butylsulfonyl(methyl)amino]ethyl 3-[2-[butylsulfonyl(methyl)amino]ethoxy]propanoate
CID 102142999
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807
ethyl 3-butylsulfonylpropanoate
CID 42647324
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate (CID 62686433) is ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(C)CCN.
What is the InChIKey of ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate?
The InChIKey is YVEHNMNCOBEYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-14-8(11)4-7-15(12,13)10(2)6-5-9/h3-7,9H2,1-2H3.
What are the key properties of ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate?
ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate has a molecular weight of 238.31 g/mol, XLogP of -0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate is sourced from PubChem (CID 62686433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).