N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine

C18H23FN3O2S+ — CID 9194973

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESCN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C18H22FN3O2S/c1-21(14-15-7-3-4-8-17(15)19)18-10-9-16(13-20-18)25(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/p+1
InChIKeyIJKFROGYCDPTEC-UHFFFAOYSA-O
MW364.47 g/mol
LogP2.45
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine

N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9194973) has the molecular formula C18H23FN3O2S+ and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9194973
Molecular FormulaC18H23FN3O2S+
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESCN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1
InChIInChI=1S/C18H22FN3O2S/c1-21(14-15-7-3-4-8-17(15)19)18-10-9-16(13-20-18)25(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/p+1
InChIKeyIJKFROGYCDPTEC-UHFFFAOYSA-O
XLogP2.45
TPSA54.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9195190
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 8568016
N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9113349
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8517812
N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9195406
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
N-(2,3-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9195592
5-(4-benzylpiperidin-1-yl)sulfonyl-N,N-dimethylpyridin-1-ium-2-amine
CID 2453950
(3S)-1-(4-bromophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38046855
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine (CID 9194973) is N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine is CN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is IJKFROGYCDPTEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22FN3O2S/c1-21(14-15-7-3-4-8-17(15)19)18-10-9-16(13-20-18)25(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/p+1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 364.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9194973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).