2-(Methylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane

HCID 69030709

Notes Reactions

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Basic information

Standard SMILES: CS(=O)(=O)N1CC2CC1CN2
InChIKey: KQFMRBHXRDGEAH-UHFFFAOYSA-N
Molecular formula: C6H12N2O2S
Average molar mass: 176.24 g/mol

Names & identifiers

Preferred name: 2-(Methylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
IUPAC: 2-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane

Names & synonyms

2-(METHYLSULFONYL)-2,5-DIAZABICYCLO[2.2.1]HEPTANE944068-43-32-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane(1S,4S)-2-Methylsulfonyl-2,5-diazabicyclo[2.2.1]heptaneMFCD22581536SCHEMBL4405222CS2430AKOS024438883PB19828AC-31833CS-0053700F462541

Show more names

2-(Methylsulphonyl)-2,5-diazabicyclo[2.2.1]heptane

Database identifiers

PubChem CID: 69030709

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 256

Related reactions

2 records

New reaction record

HRID 288191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 945485As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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