3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide

C14H24N4O2S — CID 106065622

IUPAC3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ncccc2C)C1
InChIInChI=1S/C14H24N4O2S/c1-12-5-3-7-16-14(12)10-17-21(19,20)18-8-4-6-13(11-18)9-15-2/h3,5,7,13,15,17H,4,6,8-11H2,1-2H3
InChIKeyVQQIUWPSOFDUGY-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.66
Rot. Bonds6

About 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide

3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 106065622) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID106065622
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ncccc2C)C1
InChIInChI=1S/C14H24N4O2S/c1-12-5-3-7-16-14(12)10-17-21(19,20)18-8-4-6-13(11-18)9-15-2/h3,5,7,13,15,17H,4,6,8-11H2,1-2H3
InChIKeyVQQIUWPSOFDUGY-UHFFFAOYSA-N
XLogP0.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]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

3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
N-(3-bromo-2-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106088172
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide (CID 106065622) is 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCc2ncccc2C)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is VQQIUWPSOFDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12-5-3-7-16-14(12)10-17-21(19,20)18-8-4-6-13(11-18)9-15-2/h3,5,7,13,15,17H,4,6,8-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106065622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).