N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide

C5H12F2N2O2S — CID 61349695

IUPACN-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-9(4-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3
InChIKeyKQBNFPREAPJXMT-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.18
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 61349695) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID61349695
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-9(4-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3
InChIKeyKQBNFPREAPJXMT-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 61349695) is N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(CCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is KQBNFPREAPJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-2-9(4-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61349695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).