2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide

C14H23N3O2S — CID 62159127

IUPAC2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-15-13-7-3-4-8-14(13)20(18,19)16-10-12-6-5-9-17(2)11-12/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3
InChIKeyBMEKNIBBDJDVBK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.35
Rot. Bonds5

About 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide

2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide (PubChem CID 62159127) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
PubChem CID62159127
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-15-13-7-3-4-8-14(13)20(18,19)16-10-12-6-5-9-17(2)11-12/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3
InChIKeyBMEKNIBBDJDVBK-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 56756292
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide (CID 62159127) is 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide is CNc1ccccc1S(=O)(=O)NCC1CCCN(C)C1.
What is the InChIKey of 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BMEKNIBBDJDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-13-7-3-4-8-14(13)20(18,19)16-10-12-6-5-9-17(2)11-12/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide?
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62159127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).