N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide

C14H24N4O4S — CID 90567715

IUPACN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCC1CN2CCN1CC2
InChIInChI=1S/C14H24N4O4S/c19-13-2-1-3-14(20)18(13)8-9-23(21,22)15-10-12-11-16-4-6-17(12)7-5-16/h12,15H,1-11H2
InChIKeyBUDSYLCNGCZZMT-UHFFFAOYSA-N
MW344.44 g/mol
LogP-1.56
Rot. Bonds6

About N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide (PubChem CID 90567715) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide
PubChem CID90567715
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCC1CN2CCN1CC2
InChIInChI=1S/C14H24N4O4S/c19-13-2-1-3-14(20)18(13)8-9-23(21,22)15-10-12-11-16-4-6-17(12)7-5-16/h12,15H,1-11H2
InChIKeyBUDSYLCNGCZZMT-UHFFFAOYSA-N
XLogP-1.56
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide?
The IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide (CID 90567715) is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide?
The canonical SMILES for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)NCC1CN2CCN1CC2.
What is the InChIKey of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide?
The InChIKey is BUDSYLCNGCZZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c19-13-2-1-3-14(20)18(13)8-9-23(21,22)15-10-12-11-16-4-6-17(12)7-5-16/h12,15H,1-11H2.
What are the key properties of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide?
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of -1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 90567715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).