2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide

C11H17FN4O2S — CID 106090138

IUPAC2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C11H17FN4O2S/c12-10-8-14-5-4-11(10)15-19(17,18)16-6-2-1-3-9(16)7-13/h4-5,8-9H,1-3,6-7,13H2,(H,14,15)
InChIKeyADTUVZMVODUERW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.69
Rot. Bonds4

About 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide (PubChem CID 106090138) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
PubChem CID106090138
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC Name2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C11H17FN4O2S/c12-10-8-14-5-4-11(10)15-19(17,18)16-6-2-1-3-9(16)7-13/h4-5,8-9H,1-3,6-7,13H2,(H,14,15)
InChIKeyADTUVZMVODUERW-UHFFFAOYSA-N
XLogP0.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106085863
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide
CID 106083001

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide (CID 106090138) is 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide?
The InChIKey is ADTUVZMVODUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c12-10-8-14-5-4-11(10)15-19(17,18)16-6-2-1-3-9(16)7-13/h4-5,8-9H,1-3,6-7,13H2,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106090138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).