2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide

C14H23N3O3S — CID 106045444

IUPAC2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-8-6-12(7-9-14)16-21(18,19)17-10-4-3-5-13(17)11-15/h6-9,13,16H,2-5,10-11,15H2,1H3
InChIKeyPYJBUVCMXRDTDH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds6

About 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide (PubChem CID 106045444) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
PubChem CID106045444
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-8-6-12(7-9-14)16-21(18,19)17-10-4-3-5-13(17)11-15/h6-9,13,16H,2-5,10-11,15H2,1H3
InChIKeyPYJBUVCMXRDTDH-UHFFFAOYSA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide (CID 106045444) is 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide is CCOc1ccc(NS(=O)(=O)N2CCCCC2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide?
The InChIKey is PYJBUVCMXRDTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-20-14-8-6-12(7-9-14)16-21(18,19)17-10-4-3-5-13(17)11-15/h6-9,13,16H,2-5,10-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106045444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).