1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide

C9H18F2N2O2S — CID 43200309

IUPAC1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-13(16(14,15)9(10)11)7-5-8-4-2-3-6-12-8/h8-9,12H,2-7H2,1H3
InChIKeySOQBXNXUHAXOHZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.00
Rot. Bonds5

About 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide

1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide (PubChem CID 43200309) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide
PubChem CID43200309
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-13(16(14,15)9(10)11)7-5-8-4-2-3-6-12-8/h8-9,12H,2-7H2,1H3
InChIKeySOQBXNXUHAXOHZ-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.00
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-(2-piperidin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide (CID 43200309) is 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide is CN(CCC1CCCCN1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The InChIKey is SOQBXNXUHAXOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-13(16(14,15)9(10)11)7-5-8-4-2-3-6-12-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide?
1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.00, 5 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-(2-piperidin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 43200309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).