methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate

C13H24N2O5S — CID 43423217

IUPACmethyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1CCCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C13H24N2O5S/c1-9(2)11(13(17)20-3)14-12(16)10-7-5-6-8-15(10)21(4,18)19/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyIFEJPSSGBZYDHL-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.11
Rot. Bonds5

About methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate

methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate (PubChem CID 43423217) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
PubChem CID43423217
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1CCCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C13H24N2O5S/c1-9(2)11(13(17)20-3)14-12(16)10-7-5-6-8-15(10)21(4,18)19/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyIFEJPSSGBZYDHL-UHFFFAOYSA-N
XLogP0.11
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]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 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
tert-butyl (2R)-2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoate
CID 81000032
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 51956622
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate (CID 43423217) is methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate is COC(=O)C(NC(=O)C1CCCCN1S(C)(=O)=O)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate?
The InChIKey is IFEJPSSGBZYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-9(2)11(13(17)20-3)14-12(16)10-7-5-6-8-15(10)21(4,18)19/h9-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate has a molecular weight of 320.41 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 43423217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).