N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide

C8H18F2N2O2S — CID 63765643

IUPACN-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-7(4-2)12(6-5-11)15(13,14)8(9)10/h7-8H,3-6,11H2,1-2H3
InChIKeyVPIXFFMDCXSUSL-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.99
Rot. Bonds7

About N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide

N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide (PubChem CID 63765643) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
PubChem CID63765643
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-7(4-2)12(6-5-11)15(13,14)8(9)10/h7-8H,3-6,11H2,1-2H3
InChIKeyVPIXFFMDCXSUSL-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide (CID 63765643) is N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide?
The InChIKey is VPIXFFMDCXSUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-3-7(4-2)12(6-5-11)15(13,14)8(9)10/h7-8H,3-6,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide?
N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 63765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).