1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide

C8H16F2N2O2S — CID 63305108

IUPAC1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide
SMILESCC1CCCNC1CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-6-3-2-4-11-7(6)5-12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeyMHSNGZGPASODJX-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.52
Rot. Bonds4

About 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide

1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide (PubChem CID 63305108) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide
PubChem CID63305108
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide
SMILESCC1CCCNC1CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-6-3-2-4-11-7(6)5-12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeyMHSNGZGPASODJX-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide (CID 63305108) is 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide is CC1CCCNC1CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide?
The InChIKey is MHSNGZGPASODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6-3-2-4-11-7(6)5-12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide?
1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 63305108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).