N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

C8H19FN2O2S — CID 121481036

IUPACN-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCF)CCNS(C)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-8(2)11(6-4-9)7-5-10-14(3,12)13/h8,10H,4-7H2,1-3H3
InChIKeyUOMAEGYETNUCHE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds7

About N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 121481036) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID121481036
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC NameN-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCF)CCNS(C)(=O)=O
InChIInChI=1S/C8H19FN2O2S/c1-8(2)11(6-4-9)7-5-10-14(3,12)13/h8,10H,4-7H2,1-3H3
InChIKeyUOMAEGYETNUCHE-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 121481036) is N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCF)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is UOMAEGYETNUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-8(2)11(6-4-9)7-5-10-14(3,12)13/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 226.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 121481036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).