methyl 4-[methyl(methylsulfamoyl)amino]butanoate

C7H16N2O4S — CID 114811563

IUPACmethyl 4-[methyl(methylsulfamoyl)amino]butanoate
SMILESCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C7H16N2O4S/c1-8-14(11,12)9(2)6-4-5-7(10)13-3/h8H,4-6H2,1-3H3
InChIKeyVXLUQXXNRIMFPB-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.66
Rot. Bonds6

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

methyl 4-[methyl(methylsulfamoyl)amino]butanoate (PubChem CID 114811563) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 4-[methyl(methylsulfamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(methylsulfamoyl)amino]butanoate
PubChem CID114811563
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Namemethyl 4-[methyl(methylsulfamoyl)amino]butanoate
SMILESCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C7H16N2O4S/c1-8-14(11,12)9(2)6-4-5-7(10)13-3/h8H,4-6H2,1-3H3
InChIKeyVXLUQXXNRIMFPB-UHFFFAOYSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.66
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
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
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-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
CID 54979307
Methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
CID 55028428
Ethyl 4-(dimethylsulfamoylamino)butanoate
CID 60433931
Ethyl 4-(diethylsulfamoylamino)butanoate
CID 60713818
Methyl 4-[methyl(sulfamoyl)amino]butanoate
CID 60729454
Ethyl 4-(dipropylsulfamoylamino)butanoate
CID 60751025
Methyl 4-[chlorosulfonyl(methyl)amino]butanoate
CID 61600397

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(methylsulfamoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(methylsulfamoyl)amino]butanoate (CID 114811563) is methyl 4-[methyl(methylsulfamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(methylsulfamoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(methylsulfamoyl)amino]butanoate is CNS(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(methylsulfamoyl)amino]butanoate?
The InChIKey is VXLUQXXNRIMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-8-14(11,12)9(2)6-4-5-7(10)13-3/h8H,4-6H2,1-3H3.
What are the key properties of methyl 4-[methyl(methylsulfamoyl)amino]butanoate?
methyl 4-[methyl(methylsulfamoyl)amino]butanoate has a molecular weight of 224.28 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(methylsulfamoyl)amino]butanoate is sourced from PubChem (CID 114811563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).