2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide

C14H23N3O3S — CID 106053297

IUPAC2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1C
InChIInChI=1S/C14H23N3O3S/c1-11-9-12(6-7-14(11)20-2)16-21(18,19)17-8-4-3-5-13(17)10-15/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3
InChIKeyKCMUXMNWIIPZBI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.47
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide (PubChem CID 106053297) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
PubChem CID106053297
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1C
InChIInChI=1S/C14H23N3O3S/c1-11-9-12(6-7-14(11)20-2)16-21(18,19)17-8-4-3-5-13(17)10-15/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3
InChIKeyKCMUXMNWIIPZBI-UHFFFAOYSA-N
XLogP1.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
CID 120874755
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
[1-(3-methoxy-4-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969231
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
methyl 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methoxybenzoate
CID 120707972
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide (CID 106053297) is 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide is COc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is KCMUXMNWIIPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-9-12(6-7-14(11)20-2)16-21(18,19)17-8-4-3-5-13(17)10-15/h6-7,9,13,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106053297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).