3-Isocyanato-1-[(3-methylphenyl)sulfonyl]piperidine
Basic information
- CAS
1017019-27-0- Standard SMILES
Cc1cccc(S(=O)(=O)N2CCCC(N=C=O)C2)c1- InChIKey
HTKQZKGCQPWNLV-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- 3-Isocyanato-1-[(3-methylphenyl)sulfonyl]piperidine
- IUPAC
- 3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine
Names & synonyms
3-Isocyanato-1-[(3-methylphenyl)sulfonyl]piperidine1017019-27-0DTXSID501224442AKOS0001815183-Isocyanato-1-(3-methylbenzene-1-sulfonyl)piperidine
Database identifiers
- CAS
1017019-27-0- PubChem CID
- 24699747
- DTXSID
DTXSID501224442
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…