N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide

C12H18FN3O2S — CID 166603265

IUPACN-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(F)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O2S/c1-15(19(2,17)18)11-4-3-7-16(9-11)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyZHFCQTRHNSSLQD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds3

About N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide

N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 166603265) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
PubChem CID166603265
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCCN(c2ccc(F)cn2)C1)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O2S/c1-15(19(2,17)18)11-4-3-7-16(9-11)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyZHFCQTRHNSSLQD-UHFFFAOYSA-N
XLogP1.08
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582481
N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346294
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166601039
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 166603271
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
4-chloro-1-(5-fluoro-2-pyridinyl)azepane
CID 131020139
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide (CID 166603265) is N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide is CN(C1CCCN(c2ccc(F)cn2)C1)S(C)(=O)=O.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is ZHFCQTRHNSSLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-15(19(2,17)18)11-4-3-7-16(9-11)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide?
N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).