N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide

C8H17F2N3O2S — CID 63631841

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide
SMILESNCCN1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-7-1-4-13(5-2-7)6-3-11/h7-8,12H,1-6,11H2
InChIKeySJAMLCGMJJXVKO-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.45
Rot. Bonds5

About N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide

N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide (PubChem CID 63631841) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide
PubChem CID63631841
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide
SMILESNCCN1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-7-1-4-13(5-2-7)6-3-11/h7-8,12H,1-6,11H2
InChIKeySJAMLCGMJJXVKO-UHFFFAOYSA-N
XLogP-0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide (CID 63631841) is N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide is NCCN1CCC(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide?
The InChIKey is SJAMLCGMJJXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c9-8(10)16(14,15)12-7-1-4-13(5-2-7)6-3-11/h7-8,12H,1-6,11H2.
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63631841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).