N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide

C7H17FN2O2S — CID 80696152

IUPACN-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCF)NS(C)(=O)=O
InChIInChI=1S/C7H17FN2O2S/c1-7(2,6-9-5-4-8)10-13(3,11)12/h9-10H,4-6H2,1-3H3
InChIKeyQKXJKRBKZJTPIO-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.13
Rot. Bonds6

About N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 80696152) has the molecular formula C7H17FN2O2S and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID80696152
Molecular FormulaC7H17FN2O2S
Molecular Weight212.29 g/mol
Exact Mass212.10
IUPAC NameN-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCF)NS(C)(=O)=O
InChIInChI=1S/C7H17FN2O2S/c1-7(2,6-9-5-4-8)10-13(3,11)12/h9-10H,4-6H2,1-3H3
InChIKeyQKXJKRBKZJTPIO-UHFFFAOYSA-N
XLogP-0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.13
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-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 80696152) is N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCCF)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is QKXJKRBKZJTPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O2S/c1-7(2,6-9-5-4-8)10-13(3,11)12/h9-10H,4-6H2,1-3H3.
What are the key properties of N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 212.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 80696152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).