N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide

C12H20N4O2S — CID 62354332

IUPACN-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(CN)cn2)C1
InChIInChI=1S/C12H20N4O2S/c1-10-3-2-6-16(9-10)19(17,18)15-12-5-4-11(7-13)8-14-12/h4-5,8,10H,2-3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyICOHBEDGPFPOEY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.93
Rot. Bonds4

About N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide

N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 62354332) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
PubChem CID62354332
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(CN)cn2)C1
InChIInChI=1S/C12H20N4O2S/c1-10-3-2-6-16(9-10)19(17,18)15-12-5-4-11(7-13)8-14-12/h4-5,8,10H,2-3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyICOHBEDGPFPOEY-UHFFFAOYSA-N
XLogP0.93
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
CID 63820971
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
CID 104592934
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684
N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
CID 63687650
N-[5-(aminomethyl)-2-pyridinyl]-1-methylpyrazole-4-sulfonamide
CID 62353719
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 95761624
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide (CID 62354332) is N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)Nc2ccc(CN)cn2)C1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is ICOHBEDGPFPOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-3-2-6-16(9-10)19(17,18)15-12-5-4-11(7-13)8-14-12/h4-5,8,10H,2-3,6-7,9,13H2,1H3,(H,14,15).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide?
N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 62354332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).