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

C11H22N6O2S — CID 106093569

IUPAC3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ncn(C)n2)C1
InChIInChI=1S/C11H22N6O2S/c1-12-6-10-4-3-5-17(8-10)20(18,19)14-7-11-13-9-16(2)15-11/h9-10,12,14H,3-8H2,1-2H3
InChIKeyUQXAGLWFRLSBPW-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.92
Rot. Bonds6

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

3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106093569) has the molecular formula C11H22N6O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID106093569
Molecular FormulaC11H22N6O2S
Molecular Weight302.40 g/mol
Exact Mass302.15
IUPAC Name3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ncn(C)n2)C1
InChIInChI=1S/C11H22N6O2S/c1-12-6-10-4-3-5-17(8-10)20(18,19)14-7-11-13-9-16(2)15-11/h9-10,12,14H,3-8H2,1-2H3
InChIKeyUQXAGLWFRLSBPW-UHFFFAOYSA-N
XLogP-0.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064148
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide (CID 106093569) is 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCc2ncn(C)n2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is UQXAGLWFRLSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2S/c1-12-6-10-4-3-5-17(8-10)20(18,19)14-7-11-13-9-16(2)15-11/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106093569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).