methyl 4-[methyl(propylsulfamoyl)amino]butanoate

C9H20N2O4S — CID 114811562

IUPACmethyl 4-[methyl(propylsulfamoyl)amino]butanoate
SMILESCCCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H20N2O4S/c1-4-7-10-16(13,14)11(2)8-5-6-9(12)15-3/h10H,4-8H2,1-3H3
InChIKeyRGYKBSSKERQCNL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.12
Rot. Bonds8

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

methyl 4-[methyl(propylsulfamoyl)amino]butanoate (PubChem CID 114811562) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 4-[methyl(propylsulfamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(propylsulfamoyl)amino]butanoate
PubChem CID114811562
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Namemethyl 4-[methyl(propylsulfamoyl)amino]butanoate
SMILESCCCNS(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H20N2O4S/c1-4-7-10-16(13,14)11(2)8-5-6-9(12)15-3/h10H,4-8H2,1-3H3
InChIKeyRGYKBSSKERQCNL-UHFFFAOYSA-N
XLogP0.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.12
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-[methyl(propylsulfamoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(propylsulfamoyl)amino]butanoate (CID 114811562) is methyl 4-[methyl(propylsulfamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(propylsulfamoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(propylsulfamoyl)amino]butanoate is CCCNS(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(propylsulfamoyl)amino]butanoate?
The InChIKey is RGYKBSSKERQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-7-10-16(13,14)11(2)8-5-6-9(12)15-3/h10H,4-8H2,1-3H3.
What are the key properties of methyl 4-[methyl(propylsulfamoyl)amino]butanoate?
methyl 4-[methyl(propylsulfamoyl)amino]butanoate has a molecular weight of 252.34 g/mol, XLogP of 0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(propylsulfamoyl)amino]butanoate is sourced from PubChem (CID 114811562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).