N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide

C13H20FN3O2S — CID 62316606

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-12-2-3-13(14)11(8-12)9-15/h2-3,8,10,16H,4-7,9,15H2,1H3
InChIKeyDXIOCPQAHJNRPB-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.67
Rot. Bonds4

About N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide

N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 62316606) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
PubChem CID62316606
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-12-2-3-13(14)11(8-12)9-15/h2-3,8,10,16H,4-7,9,15H2,1H3
InChIKeyDXIOCPQAHJNRPB-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide
CID 167990213
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide (CID 62316606) is N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccc(F)c(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is DXIOCPQAHJNRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-12-2-3-13(14)11(8-12)9-15/h2-3,8,10,16H,4-7,9,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide?
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 62316606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).