2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide

C11H20N6O2S — CID 106083001

IUPAC2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)N2CCCCC2CN)nc1C
InChIInChI=1S/C11H20N6O2S/c1-8-9(2)14-15-11(13-8)16-20(18,19)17-6-4-3-5-10(17)7-12/h10H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyQDRHWJRGJBXAEX-UHFFFAOYSA-N
MW300.39 g/mol
LogP-0.04
Rot. Bonds4

About 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide (PubChem CID 106083001) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide
PubChem CID106083001
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)N2CCCCC2CN)nc1C
InChIInChI=1S/C11H20N6O2S/c1-8-9(2)14-15-11(13-8)16-20(18,19)17-6-4-3-5-10(17)7-12/h10H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyQDRHWJRGJBXAEX-UHFFFAOYSA-N
XLogP-0.04
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089816
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide (CID 106083001) is 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide is Cc1nnc(NS(=O)(=O)N2CCCCC2CN)nc1C.
What is the InChIKey of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide?
The InChIKey is QDRHWJRGJBXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-8-9(2)14-15-11(13-8)16-20(18,19)17-6-4-3-5-10(17)7-12/h10H,3-7,12H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide has a molecular weight of 300.39 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106083001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).