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

C8H16F2N2O2S — CID 139343511

IUPACN-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)CNCC1(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-6-7(4-12-15(2,13)14)3-11-5-8(6,9)10/h6-7,11-12H,3-5H2,1-2H3
InChIKeyWIDLZVCOFRRHAA-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.03
Rot. Bonds3

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

N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343511) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343511
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1C(CNS(C)(=O)=O)CNCC1(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-6-7(4-12-15(2,13)14)3-11-5-8(6,9)10/h6-7,11-12H,3-5H2,1-2H3
InChIKeyWIDLZVCOFRRHAA-UHFFFAOYSA-N
XLogP0.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343511) is N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide is CC1C(CNS(C)(=O)=O)CNCC1(F)F.
What is the InChIKey of N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is WIDLZVCOFRRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6-7(4-12-15(2,13)14)3-11-5-8(6,9)10/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-difluoro-4-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).