3-Amino-N-[(pyridin-4-yl)methyl]propane-1-sulfonamide
Basic information
- CAS
1251268-86-6- Standard SMILES
NCCCS(=O)(=O)NCc1ccncc1- InChIKey
NKAHFRVDPFEQDJ-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.0884979
Names & identifiers
- Preferred name
- 3-Amino-N-[(pyridin-4-yl)methyl]propane-1-sulfonamide
- IUPAC
- 3-amino-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
Names & synonyms
DTXSID2012174841-Propanesulfonamide, 3-amino-N-(4-pyridinylmethyl)-3-Amino-N-[(pyridin-4-yl)methyl]propane-1-sulfonamide1251268-86-6
Database identifiers
- CAS
1251268-86-6- PubChem CID
- 60909271
- DTXSID
DTXSID201217484
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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