Basic information
- Standard SMILES
CCN(CC)CCNC(=O)N(CCS(=O)c1ccccc1)C(C)C- InChIKey
HPPSFHKQOQCAIN-UHFFFAOYSA-N- Molecular formula
- C18H31N3O2S
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- N'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[2-(phenylsulfinyl)ethyl]urea
- IUPAC
- 1-[2-(benzenesulfinyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea
Names & synonyms
SCHEMBL10686395HPPSFHKQOQCAIN-UHFFFAOYSA-NN'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[2-(phenylsulfinyl)ethyl]urea
Database identifiers
- PubChem CID
- 20152795
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
Related reactions
3 records
Compound notes
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