methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate

C10H19NO6S — CID 55007868

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-8(10(13)17-4)7-11(2)18(14,15)6-5-9(12)16-3/h8H,5-7H2,1-4H3
InChIKeyBCJVECNAIDEGGJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.38
Rot. Bonds7

About methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate

methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 55007868) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID55007868
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-8(10(13)17-4)7-11(2)18(14,15)6-5-9(12)16-3/h8H,5-7H2,1-4H3
InChIKeyBCJVECNAIDEGGJ-UHFFFAOYSA-N
XLogP-0.38
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate 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

3-(2-Methylpropanoyloxy)propane-1-sulfonate;trimethyl-[3-(2-methylpropanoyloxy)propyl]azanium
CID 139213502
Methyl 3-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584560
Methyl 3-[propylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584751
Methyl 3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902715
Methyl 2-methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902849
Methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83059110
3-[3-Fluoropropylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 120397697
3-[4-Fluorobutylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 121617586
Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
1-(Propane-1-sulfonyl)-azetidine-3-carboxylic acid methyl ester
CID 57471448
Methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate
CID 89373024
Propyl 3-(dipropylsulfamoyl)propanoate
CID 90858425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate (CID 55007868) is methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate is COC(=O)CCS(=O)(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is BCJVECNAIDEGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-8(10(13)17-4)7-11(2)18(14,15)6-5-9(12)16-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate?
methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate has a molecular weight of 281.33 g/mol, XLogP of -0.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55007868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).