diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate

C12H22N2O6S — CID 43431744

IUPACdiethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
SMILESCCOC(=O)C(NS(=O)(=O)N1CCCCC1)C(=O)OCC
InChIInChI=1S/C12H22N2O6S/c1-3-19-11(15)10(12(16)20-4-2)13-21(17,18)14-8-6-5-7-9-14/h10,13H,3-9H2,1-2H3
InChIKeyMWVSLINCPLOBHK-UHFFFAOYSA-N
MW322.38 g/mol
LogP-0.20
Rot. Bonds7

About diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate

diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate (PubChem CID 43431744) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
PubChem CID43431744
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Namediethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
SMILESCCOC(=O)C(NS(=O)(=O)N1CCCCC1)C(=O)OCC
InChIInChI=1S/C12H22N2O6S/c1-3-19-11(15)10(12(16)20-4-2)13-21(17,18)14-8-6-5-7-9-14/h10,13H,3-9H2,1-2H3
InChIKeyMWVSLINCPLOBHK-UHFFFAOYSA-N
XLogP-0.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate?
The IUPAC name of diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate (CID 43431744) is diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate.
What is the SMILES notation for diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate?
The canonical SMILES for diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate is CCOC(=O)C(NS(=O)(=O)N1CCCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate?
The InChIKey is MWVSLINCPLOBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6S/c1-3-19-11(15)10(12(16)20-4-2)13-21(17,18)14-8-6-5-7-9-14/h10,13H,3-9H2,1-2H3.
What are the key properties of diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate?
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate has a molecular weight of 322.38 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate is sourced from PubChem (CID 43431744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).