N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C13H18FN3O3S — CID 115645845

IUPACN-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccncc1F
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)16-8-10-4-2-3-7-17(10)13(18)11-5-6-15-9-12(11)14/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyAAEBWIQRNRYGKF-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.76
Rot. Bonds4

About N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 115645845) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID115645845
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccncc1F
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)16-8-10-4-2-3-7-17(10)13(18)11-5-6-15-9-12(11)14/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyAAEBWIQRNRYGKF-UHFFFAOYSA-N
XLogP0.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
CID 64949689
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 164642836
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
N-[[(2S)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942937
N-[[(2R)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942938

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 115645845) is N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)c1ccncc1F.
What is the InChIKey of N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is AAEBWIQRNRYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-21(19,20)16-8-10-4-2-3-7-17(10)13(18)11-5-6-15-9-12(11)14/h5-6,9-10,16H,2-4,7-8H2,1H3.
What are the key properties of N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 315.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 115645845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).