N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide

C8H18F2N2O2S — CID 61014023

IUPACN-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNCC(F)F)S(C)(=O)=O
InChIInChI=1S/C8H18F2N2O2S/c1-3-12(15(2,13)14)6-4-5-11-7-8(9)10/h8,11H,3-7H2,1-2H3
InChIKeyOVCQXPLYJNKFBI-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.51
Rot. Bonds8

About N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 61014023) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID61014023
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNCC(F)F)S(C)(=O)=O
InChIInChI=1S/C8H18F2N2O2S/c1-3-12(15(2,13)14)6-4-5-11-7-8(9)10/h8,11H,3-7H2,1-2H3
InChIKeyOVCQXPLYJNKFBI-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
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-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide (CID 61014023) is N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNCC(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is OVCQXPLYJNKFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-3-12(15(2,13)14)6-4-5-11-7-8(9)10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 61014023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).