2-(4-Carbamoyloxypiperidin-1-yl)-2-iminoethylmercaptan hydrochloride
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Basic information
- Standard SMILES
Cl.N=C(CS)N1CCC(OC(N)=O)CC1- InChIKey
FEACOPXCFYZXGN-UHFFFAOYSA-N- Molecular formula
- C8H16ClN3O2S
- Average molar mass
- 253.75 g/mol
- Monoisotopic mass
- 253.0651756
Names & identifiers
- Preferred name
- 2-(4-Carbamoyloxypiperidin-1-yl)-2-iminoethylmercaptan hydrochloride
- IUPAC
- [1-(2-sulfanylethanimidoyl)piperidin-4-yl] carbamate;hydrochloride
Names & synonyms
SCHEMBL9835606FEACOPXCFYZXGN-UHFFFAOYSA-N2-(4-carbamoyloxypiperidin-1-yl)-2-iminoethylmercaptan hydrochloride
Database identifiers
- PubChem CID
- 21292941
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
2 records
Compound notes
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