N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide

C6H14F2N2O2S — CID 43136918

IUPACN-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-10(5-3-4-9)13(11,12)6(7)8/h6H,2-5,9H2,1H3
InChIKeyIFKZMKLVUMGBHK-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.21
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 43136918) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID43136918
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-10(5-3-4-9)13(11,12)6(7)8/h6H,2-5,9H2,1H3
InChIKeyIFKZMKLVUMGBHK-UHFFFAOYSA-N
XLogP0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 43136918) is N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(CCCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is IFKZMKLVUMGBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-2-10(5-3-4-9)13(11,12)6(7)8/h6H,2-5,9H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43136918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).