1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide

C7H14F2N2O2S — CID 43200303

IUPAC1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(NCC1CCCCN1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-6-3-1-2-4-10-6/h6-7,10-11H,1-5H2
InChIKeyJGCLFQXVEFKIBK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.27
Rot. Bonds4

About 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide

1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide (PubChem CID 43200303) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide
PubChem CID43200303
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(NCC1CCCCN1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-6-3-1-2-4-10-6/h6-7,10-11H,1-5H2
InChIKeyJGCLFQXVEFKIBK-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methanesulfonyl)-3-aminopiperidine
CID 19623288
N-(piperidin-3-yl)methanesulfonamide
CID 20113226
N-((piperidin-2-yl)methyl)methanesulfonamide
CID 18070091
1-Trifluoromethanesulfonylpiperidin-4-amine
CID 43556400
N-((3S)-piperidin-3-yl)methanesulfonamide hydrochloride
CID 53256839
(R)-N-(Piperidin-3-yl)methanesulfonamide hydrochloride
CID 53256472
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-(4-Piperidinyl)trifluoromethanesulfonamide
CID 11117910
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
CID 20571268
1-(Difluoromethanesulfonyl)piperidin-4-amine
CID 28606479
(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
CID 28607121

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide (CID 43200303) is 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide is O=S(=O)(NCC1CCCCN1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide?
The InChIKey is JGCLFQXVEFKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-6-3-1-2-4-10-6/h6-7,10-11H,1-5H2.
What are the key properties of 1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide?
1,1-difluoro-N-(piperidin-2-ylmethyl)methanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.27, 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-(piperidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 43200303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).