methyl 4-[methyl(sulfamoyl)amino]butanoate

C6H14N2O4S — CID 60729454

IUPACmethyl 4-[methyl(sulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-8(13(7,10)11)5-3-4-6(9)12-2/h3-5H2,1-2H3,(H2,7,10,11)
InChIKeyGBQSEDGBQHNFEY-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.93
Rot. Bonds5

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

methyl 4-[methyl(sulfamoyl)amino]butanoate (PubChem CID 60729454) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 4-[methyl(sulfamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(sulfamoyl)amino]butanoate
PubChem CID60729454
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Namemethyl 4-[methyl(sulfamoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-8(13(7,10)11)5-3-4-6(9)12-2/h3-5H2,1-2H3,(H2,7,10,11)
InChIKeyGBQSEDGBQHNFEY-UHFFFAOYSA-N
XLogP-0.93
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
CID 114811561
1-Ethoxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 138658689
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
CID 54942529
Methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
CID 54942530
Methyl 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoate
CID 54943299
Methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
CID 54979307
Methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
CID 55028428
Methyl 4-[methyl(methylsulfonyl)amino]butanoate
CID 60715375
Methyl 4-[chlorosulfonyl(methyl)amino]butanoate
CID 61600397
Methyl 4-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]-methylamino]butanoate
CID 65683976
Methyl 4-(sulfamoylamino)butanoate
CID 112684103

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(sulfamoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(sulfamoyl)amino]butanoate (CID 60729454) is methyl 4-[methyl(sulfamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(sulfamoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(sulfamoyl)amino]butanoate is COC(=O)CCCN(C)S(N)(=O)=O.
What is the InChIKey of methyl 4-[methyl(sulfamoyl)amino]butanoate?
The InChIKey is GBQSEDGBQHNFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-8(13(7,10)11)5-3-4-6(9)12-2/h3-5H2,1-2H3,(H2,7,10,11).
What are the key properties of methyl 4-[methyl(sulfamoyl)amino]butanoate?
methyl 4-[methyl(sulfamoyl)amino]butanoate has a molecular weight of 210.25 g/mol, XLogP of -0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(sulfamoyl)amino]butanoate is sourced from PubChem (CID 60729454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).