1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide

C7H14F2N2O2S — CID 60806035

IUPAC1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-11(14(12,13)7(8)9)6-3-2-4-10-5-6/h6-7,10H,2-5H2,1H3
InChIKeyOPSHTRWIUKEWIZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.22
Rot. Bonds3

About 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide

1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide (PubChem CID 60806035) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide
PubChem CID60806035
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-11(14(12,13)7(8)9)6-3-2-4-10-5-6/h6-7,10H,2-5H2,1H3
InChIKeyOPSHTRWIUKEWIZ-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide (CID 60806035) is 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide is CN(C1CCCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide?
The InChIKey is OPSHTRWIUKEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-11(14(12,13)7(8)9)6-3-2-4-10-5-6/h6-7,10H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide?
1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 60806035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).