methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate

C12H23N3O5S — CID 168939931

IUPACmethyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H23N3O5S/c1-14-6-4-10(5-7-14)15(21(3,18)19)9-11(16)13-8-12(17)20-2/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyLGZHPYBRFRZSCB-UHFFFAOYSA-N
MW321.40 g/mol
LogP-1.37
Rot. Bonds6

About methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate

methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate (PubChem CID 168939931) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate
PubChem CID168939931
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Namemethyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C12H23N3O5S/c1-14-6-4-10(5-7-14)15(21(3,18)19)9-11(16)13-8-12(17)20-2/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyLGZHPYBRFRZSCB-UHFFFAOYSA-N
XLogP-1.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate (CID 168939931) is methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate is COC(=O)CNC(=O)CN(C1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate?
The InChIKey is LGZHPYBRFRZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-14-6-4-10(5-7-14)15(21(3,18)19)9-11(16)13-8-12(17)20-2/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate?
methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate has a molecular weight of 321.40 g/mol, XLogP of -1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(1-methylpiperidin-4-yl)-methylsulfonylamino]acetyl]amino]acetate is sourced from PubChem (CID 168939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).