(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

C13H20N4O5S — CID 55701470

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H20N4O5S/c1-16-9-11(7-14-16)23(20,21)15-8-13(19)22-10-12(18)17-5-3-2-4-6-17/h7,9,15H,2-6,8,10H2,1H3
InChIKeyIFWTWCWVMHKLGE-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.75
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 55701470) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID55701470
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H20N4O5S/c1-16-9-11(7-14-16)23(20,21)15-8-13(19)22-10-12(18)17-5-3-2-4-6-17/h7,9,15H,2-6,8,10H2,1H3
InChIKeyIFWTWCWVMHKLGE-UHFFFAOYSA-N
XLogP-0.75
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (CID 55701470) is (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCCC2)cn1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is IFWTWCWVMHKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-16-9-11(7-14-16)23(20,21)15-8-13(19)22-10-12(18)17-5-3-2-4-6-17/h7,9,15H,2-6,8,10H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 344.39 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 55701470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).