3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide

C12H18FN3O2S — CID 106630898

IUPAC3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H18FN3O2S/c1-16(9-10-4-2-6-14-8-10)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyAQCUMYBEGZOQEK-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.84
Rot. Bonds4

About 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide

3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide (PubChem CID 106630898) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
PubChem CID106630898
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H18FN3O2S/c1-16(9-10-4-2-6-14-8-10)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10,14H,2,4,6,8-9H2,1H3
InChIKeyAQCUMYBEGZOQEK-UHFFFAOYSA-N
XLogP0.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide (CID 106630898) is 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide is CN(CC1CCCNC1)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is AQCUMYBEGZOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-16(9-10-4-2-6-14-8-10)19(17,18)12-11(13)5-3-7-15-12/h3,5,7,10,14H,2,4,6,8-9H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide?
3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106630898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).