methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate

C11H22N2O5S — CID 112691943

IUPACmethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O5S/c1-9(2)7-12-10(14)8-13-19(16,17)6-4-5-11(15)18-3/h9,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyRPKCMAKUZQIGES-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.37
Rot. Bonds9

About methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate

methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate (PubChem CID 112691943) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
PubChem CID112691943
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O5S/c1-9(2)7-12-10(14)8-13-19(16,17)6-4-5-11(15)18-3/h9,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyRPKCMAKUZQIGES-UHFFFAOYSA-N
XLogP-0.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate 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 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate (CID 112691943) is methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCC(=O)NCC(C)C.
What is the InChIKey of methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate?
The InChIKey is RPKCMAKUZQIGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(2)7-12-10(14)8-13-19(16,17)6-4-5-11(15)18-3/h9,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate?
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate has a molecular weight of 294.37 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate is sourced from PubChem (CID 112691943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).