methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate

C10H22N2O5S — CID 115677986

IUPACmethyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
SMILESCCOC(C)CNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-5-17-9(2)8-11-18(14,15)12(3)7-6-10(13)16-4/h9,11H,5-8H2,1-4H3
InChIKeyCCOKTEBDIKSWOJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP-0.26
Rot. Bonds9

About methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate

methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate (PubChem CID 115677986) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
PubChem CID115677986
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Namemethyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
SMILESCCOC(C)CNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-5-17-9(2)8-11-18(14,15)12(3)7-6-10(13)16-4/h9,11H,5-8H2,1-4H3
InChIKeyCCOKTEBDIKSWOJ-UHFFFAOYSA-N
XLogP-0.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]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 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
CID 115669280
2-ethoxypropylsulfamic acid
CID 174221196

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate (CID 115677986) is methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate is CCOC(C)CNS(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate?
The InChIKey is CCOKTEBDIKSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-5-17-9(2)8-11-18(14,15)12(3)7-6-10(13)16-4/h9,11H,5-8H2,1-4H3.
What are the key properties of methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate?
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate has a molecular weight of 282.36 g/mol, XLogP of -0.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 115677986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).