methyl 3-(diethylsulfamoylamino)propanoate

C8H18N2O4S — CID 60713707

IUPACmethyl 3-(diethylsulfamoylamino)propanoate
SMILESCCN(CC)S(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(12,13)9-7-6-8(11)14-3/h9H,4-7H2,1-3H3
InChIKeyHQHXVMBTTDBSAK-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.27
Rot. Bonds7

About methyl 3-(diethylsulfamoylamino)propanoate

methyl 3-(diethylsulfamoylamino)propanoate (PubChem CID 60713707) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 3-(diethylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(diethylsulfamoylamino)propanoate
PubChem CID60713707
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namemethyl 3-(diethylsulfamoylamino)propanoate
SMILESCCN(CC)S(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(12,13)9-7-6-8(11)14-3/h9H,4-7H2,1-3H3
InChIKeyHQHXVMBTTDBSAK-UHFFFAOYSA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(diethylsulfamoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[ethyl(propylsulfamoyl)amino]acetate
CID 114811544
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate
CID 114811511
methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
methyl 3-(2-methylpropylsulfonylamino)propanoate
CID 62733313
1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
methyl 3-(2-propylpentylsulfamoylamino)propanoate
CID 25258362
methyl 3-[ethyl(prop-2-enylsulfonyl)amino]propanoate
CID 79673015

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylsulfamoylamino)propanoate?
The IUPAC name of methyl 3-(diethylsulfamoylamino)propanoate (CID 60713707) is methyl 3-(diethylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 3-(diethylsulfamoylamino)propanoate?
The canonical SMILES for methyl 3-(diethylsulfamoylamino)propanoate is CCN(CC)S(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(diethylsulfamoylamino)propanoate?
The InChIKey is HQHXVMBTTDBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-10(5-2)15(12,13)9-7-6-8(11)14-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 3-(diethylsulfamoylamino)propanoate?
methyl 3-(diethylsulfamoylamino)propanoate has a molecular weight of 238.31 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylsulfamoylamino)propanoate is sourced from PubChem (CID 60713707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).