N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 82735116

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-2-7-4-3-5-12-8(7)6-13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3
InChIKeyKMAMTQKJCXRVKN-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.91
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide

N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 82735116) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID82735116
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-2-7-4-3-5-12-8(7)6-13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3
InChIKeyKMAMTQKJCXRVKN-UHFFFAOYSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide (CID 82735116) is N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide is CCC1CCCNC1CNS(=O)(=O)C(F)F.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is KMAMTQKJCXRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-2-7-4-3-5-12-8(7)6-13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3.
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide?
N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 82735116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).