methyl 4-[ethylsulfamoyl(methyl)amino]butanoate

C8H18N2O4S — CID 115638410

IUPACmethyl 4-[ethylsulfamoyl(methyl)amino]butanoate
SMILESCCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C8H18N2O4S/c1-4-9-15(12,13)10(2)7-5-6-8(11)14-3/h9H,4-7H2,1-3H3
InChIKeyGCYUJGJKUBBTKM-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.27
Rot. Bonds7

About methyl 4-[ethylsulfamoyl(methyl)amino]butanoate

methyl 4-[ethylsulfamoyl(methyl)amino]butanoate (PubChem CID 115638410) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 4-[ethylsulfamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[ethylsulfamoyl(methyl)amino]butanoate
PubChem CID115638410
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namemethyl 4-[ethylsulfamoyl(methyl)amino]butanoate
SMILESCCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C8H18N2O4S/c1-4-9-15(12,13)10(2)7-5-6-8(11)14-3/h9H,4-7H2,1-3H3
InChIKeyGCYUJGJKUBBTKM-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

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Related Compounds

4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
CID 114811561
Methyl 4-[4-aminobutyl(methyl)amino]butanoate
CID 63383317
Ethane;methyl 4-[(4-methoxy-4-oxobutyl)amino]butanoate
CID 143528208
Ethane;methyl 4-(methylamino)butanoate
CID 145183749
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
Methyl 4-[2-(methanesulfonamido)ethylamino]butanoate
CID 43545964
Methyl 4-[3-[ethyl(methylsulfonyl)amino]propylamino]butanoate
CID 54903445
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
CID 54942529

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethylsulfamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[ethylsulfamoyl(methyl)amino]butanoate (CID 115638410) is methyl 4-[ethylsulfamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[ethylsulfamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[ethylsulfamoyl(methyl)amino]butanoate is CCNS(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[ethylsulfamoyl(methyl)amino]butanoate?
The InChIKey is GCYUJGJKUBBTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-9-15(12,13)10(2)7-5-6-8(11)14-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 4-[ethylsulfamoyl(methyl)amino]butanoate?
methyl 4-[ethylsulfamoyl(methyl)amino]butanoate 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 4-[ethylsulfamoyl(methyl)amino]butanoate is sourced from PubChem (CID 115638410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).