4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide

C12H24N6O2S — CID 106064163

IUPAC4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2nncn2C)CC1
InChIInChI=1S/C12H24N6O2S/c1-13-9-11-4-7-18(8-5-11)21(19,20)15-6-3-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyLKUPMVVMNLXCDS-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.88
Rot. Bonds7

About 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide

4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106064163) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106064163
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC Name4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2nncn2C)CC1
InChIInChI=1S/C12H24N6O2S/c1-13-9-11-4-7-18(8-5-11)21(19,20)15-6-3-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyLKUPMVVMNLXCDS-UHFFFAOYSA-N
XLogP-0.88
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064148
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106106639
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 79612857
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide (CID 106064163) is 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCc2nncn2C)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is LKUPMVVMNLXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-13-9-11-4-7-18(8-5-11)21(19,20)15-6-3-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of -0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106064163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).