N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide

C5H12F2N2O2S — CID 62663864

IUPACN-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide
SMILESCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-8-3-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyVHKXKARNRXTVMK-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.26
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide

N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide (PubChem CID 62663864) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide
PubChem CID62663864
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide
SMILESCCNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-8-3-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyVHKXKARNRXTVMK-UHFFFAOYSA-N
XLogP-0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.26
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-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide (CID 62663864) is N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide is CCNCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide?
The InChIKey is VHKXKARNRXTVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-2-8-3-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide?
N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62663864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).