N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

C9H18F2N2O2S — CID 139343643

IUPACN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZUZRHZYKHUYJQK-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.42
Rot. Bonds4

About N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343643) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343643
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCCC1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZUZRHZYKHUYJQK-UHFFFAOYSA-N
XLogP0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (CID 139343643) is N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is CCC1CNCC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is ZUZRHZYKHUYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-3-7-4-12-5-8(9(7,10)11)6-13-16(2,14)15/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).