N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide

C5H13FN2O2S — CID 80693722

IUPACN-[2-(2-fluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCCF
InChIInChI=1S/C5H13FN2O2S/c1-11(9,10)8-5-4-7-3-2-6/h7-8H,2-5H2,1H3
InChIKeyHVCVANCCFAPFAP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.91
Rot. Bonds6

About N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide

N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide (PubChem CID 80693722) has the molecular formula C5H13FN2O2S and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoroethylamino)ethyl]methanesulfonamide
PubChem CID80693722
Molecular FormulaC5H13FN2O2S
Molecular Weight184.24 g/mol
Exact Mass184.07
IUPAC NameN-[2-(2-fluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCCF
InChIInChI=1S/C5H13FN2O2S/c1-11(9,10)8-5-4-7-3-2-6/h7-8H,2-5H2,1H3
InChIKeyHVCVANCCFAPFAP-UHFFFAOYSA-N
XLogP-0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.91
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-[2-(2-fluoroethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide (CID 80693722) is N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCCF.
What is the InChIKey of N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide?
The InChIKey is HVCVANCCFAPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2O2S/c1-11(9,10)8-5-4-7-3-2-6/h7-8H,2-5H2,1H3.
What are the key properties of N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide?
N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide has a molecular weight of 184.24 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 80693722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).