N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide

C9H20F2N2O2S — CID 62008850

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-4-9(5-2,7-12)13(6-3)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3
InChIKeyGLURXNASJAPJAJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.38
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 62008850) has the molecular formula C9H20F2N2O2S and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID62008850
Molecular FormulaC9H20F2N2O2S
Molecular Weight258.33 g/mol
Exact Mass258.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-4-9(5-2,7-12)13(6-3)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3
InChIKeyGLURXNASJAPJAJ-UHFFFAOYSA-N
XLogP1.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide (CID 62008850) is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)C(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is GLURXNASJAPJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O2S/c1-4-9(5-2,7-12)13(6-3)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 258.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62008850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).