Basic information
- CAS
91893-59-3- Standard SMILES
CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O- InChIKey
DXVCAMZHQNJBSQ-UHFFFAOYSA-N- Molecular formula
- C10H21ClN4O4S
- Average molar mass
- 328.82 g/mol
- Monoisotopic mass
- 328.097204
Names & identifiers
- Preferred name
- 1-Pentanesulfonamide, 5-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-
- IUPAC
- 1-(2-chloroethyl)-3-[5-(dimethylsulfamoyl)pentyl]-1-nitrosourea
Names & synonyms
91893-59-31-Pentanesulfonamide, 5-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-1-(2-Chloroethyl)-3-(5-(dimethylaminosulfonyl)pentyl)-1-nitrosoureaDTXSID002387405-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-1-pentanesulfonamideRefChem:232895DTXCID50161231SCHEMBL108812555-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-N,N-dimethylpentane-1-sulfonamide
Database identifiers
- CAS
91893-59-3- PubChem CID
- 3045372
- DTXSID
DTXSID00238740
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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