N-[3-(2-fluoroethylamino)propyl]methanesulfonamide

C6H15FN2O2S — CID 106336257

IUPACN-[3-(2-fluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCF
InChIInChI=1S/C6H15FN2O2S/c1-12(10,11)9-5-2-4-8-6-3-7/h8-9H,2-6H2,1H3
InChIKeyBJNCEUSNFXKAHK-UHFFFAOYSA-N
MW198.26 g/mol
LogP-0.52
Rot. Bonds7

About N-[3-(2-fluoroethylamino)propyl]methanesulfonamide

N-[3-(2-fluoroethylamino)propyl]methanesulfonamide (PubChem CID 106336257) has the molecular formula C6H15FN2O2S and a molecular weight of 198.26 g/mol. Its IUPAC name is N-[3-(2-fluoroethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluoroethylamino)propyl]methanesulfonamide
PubChem CID106336257
Molecular FormulaC6H15FN2O2S
Molecular Weight198.26 g/mol
Exact Mass198.08
IUPAC NameN-[3-(2-fluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCCF
InChIInChI=1S/C6H15FN2O2S/c1-12(10,11)9-5-2-4-8-6-3-7/h8-9H,2-6H2,1H3
InChIKeyBJNCEUSNFXKAHK-UHFFFAOYSA-N
XLogP-0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-fluoroethylamino)propyl]methanesulfonamide (CID 106336257) is N-[3-(2-fluoroethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-fluoroethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-fluoroethylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCCF.
What is the InChIKey of N-[3-(2-fluoroethylamino)propyl]methanesulfonamide?
The InChIKey is BJNCEUSNFXKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2O2S/c1-12(10,11)9-5-2-4-8-6-3-7/h8-9H,2-6H2,1H3.
What are the key properties of N-[3-(2-fluoroethylamino)propyl]methanesulfonamide?
N-[3-(2-fluoroethylamino)propyl]methanesulfonamide has a molecular weight of 198.26 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).