N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide

C9H18F2N2O2S — CID 139357865

IUPACN-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1(C)CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-8(2)6-12-4-7(9(8,10)11)5-13-16(3,14)15/h7,12-13H,4-6H2,1-3H3
InChIKeyKUSOIDSXRBTJDZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.42
Rot. Bonds3

About N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide

N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139357865) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139357865
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1(C)CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-8(2)6-12-4-7(9(8,10)11)5-13-16(3,14)15/h7,12-13H,4-6H2,1-3H3
InChIKeyKUSOIDSXRBTJDZ-UHFFFAOYSA-N
XLogP0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide (CID 139357865) is N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide is CC1(C)CNCC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is KUSOIDSXRBTJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-8(2)6-12-4-7(9(8,10)11)5-13-16(3,14)15/h7,12-13H,4-6H2,1-3H3.
What are the key properties of N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-5,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139357865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).