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

C12H24N6O2S — CID 106064148

IUPAC3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCc2nncn2C)C1
InChIInChI=1S/C12H24N6O2S/c1-13-8-11-4-3-7-18(9-11)21(19,20)15-6-5-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyNQHXQLIHLUNZBS-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.88
Rot. Bonds7

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

3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106064148) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106064148
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC Name3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCc2nncn2C)C1
InChIInChI=1S/C12H24N6O2S/c1-13-8-11-4-3-7-18(9-11)21(19,20)15-6-5-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyNQHXQLIHLUNZBS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064163
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 79612857
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106095283
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
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 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide (CID 106064148) is 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCCc2nncn2C)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is NQHXQLIHLUNZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-13-8-11-4-3-7-18(9-11)21(19,20)15-6-5-12-16-14-10-17(12)2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide?
3-(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 3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106064148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).