N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

C7H14F2N2O2S — CID 139343325

IUPACN-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCCC1(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-14(12,13)11-5-6-4-10-3-2-7(6,8)9/h6,10-11H,2-5H2,1H3
InChIKeyAXSBXSJPAVXRAU-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.22
Rot. Bonds3

About N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide

N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343325) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343325
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCCC1(F)F
InChIInChI=1S/C7H14F2N2O2S/c1-14(12,13)11-5-6-4-10-3-2-7(6,8)9/h6,10-11H,2-5H2,1H3
InChIKeyAXSBXSJPAVXRAU-UHFFFAOYSA-N
XLogP-0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide (CID 139343325) is N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CNCCC1(F)F.
What is the InChIKey of N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is AXSBXSJPAVXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-14(12,13)11-5-6-4-10-3-2-7(6,8)9/h6,10-11H,2-5H2,1H3.
What are the key properties of N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide?
N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).