N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide

C8H17FN2O2S — CID 59268340

IUPACN-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCCC(F)(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H17FN2O2S/c1-11-5-3-4-8(9,7-11)6-10-14(2,12)13/h10H,3-7H2,1-2H3
InChIKeyPFLJFICXWVMUKT-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.03
Rot. Bonds3

About N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide

N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 59268340) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID59268340
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC NameN-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCCC(F)(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H17FN2O2S/c1-11-5-3-4-8(9,7-11)6-10-14(2,12)13/h10H,3-7H2,1-2H3
InChIKeyPFLJFICXWVMUKT-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 59268340) is N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide is CN1CCCC(F)(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is PFLJFICXWVMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-11-5-3-4-8(9,7-11)6-10-14(2,12)13/h10H,3-7H2,1-2H3.
What are the key properties of N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 224.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 59268340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).