methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate

C10H19N3O5S — CID 61360325

IUPACmethyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CC(N)=O)C1CCNCC1
InChIInChI=1S/C10H19N3O5S/c1-18-10(15)7-19(16,17)13(6-9(11)14)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyNQPLFFSBWAXTQF-UHFFFAOYSA-N
MW293.34 g/mol
LogP-1.97
Rot. Bonds6

About methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate

methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate (PubChem CID 61360325) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate
PubChem CID61360325
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Namemethyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CC(N)=O)C1CCNCC1
InChIInChI=1S/C10H19N3O5S/c1-18-10(15)7-19(16,17)13(6-9(11)14)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyNQPLFFSBWAXTQF-UHFFFAOYSA-N
XLogP-1.97
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methylsulfamoyl(piperidin-4-yl)amino]acetamide
CID 114810545
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
2-[2-methylpropylsulfamoyl(piperidin-4-yl)amino]acetamide
CID 114816010
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
2-[azepan-1-ylsulfonyl(piperidin-4-yl)amino]acetamide
CID 60801061
2-[2-chloroprop-2-enylsulfonyl(cyclopentyl)amino]acetamide
CID 91652020
2-[piperidin-4-yl(thiophen-2-ylsulfonyl)amino]acetamide
CID 60802279
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide
CID 62061783
methyl 3-[methyl(piperidin-4-yl)amino]butanoate
CID 43607263
(2R)-N-(2-amino-2-oxoethyl)-5-oxo-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93327573
2-[cyclopentyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
CID 65420484

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate (CID 61360325) is methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate is COC(=O)CS(=O)(=O)N(CC(N)=O)C1CCNCC1.
What is the InChIKey of methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate?
The InChIKey is NQPLFFSBWAXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-18-10(15)7-19(16,17)13(6-9(11)14)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3,(H2,11,14).
What are the key properties of methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate?
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate has a molecular weight of 293.34 g/mol, XLogP of -1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate is sourced from PubChem (CID 61360325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).