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

C14H23N3O3S — CID 106048934

IUPAC2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-9-4-3-8-13(14)16-21(18,19)17-10-6-5-7-12(17)11-15/h3-4,8-9,12,16H,2,5-7,10-11,15H2,1H3
InChIKeyURKPVHWMHNYRGQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds6

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

2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide (PubChem CID 106048934) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
PubChem CID106048934
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-9-4-3-8-13(14)16-21(18,19)17-10-6-5-7-12(17)11-15/h3-4,8-9,12,16H,2,5-7,10-11,15H2,1H3
InChIKeyURKPVHWMHNYRGQ-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-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988979
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 106087812
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide (CID 106048934) is 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide is CCOc1ccccc1NS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide?
The InChIKey is URKPVHWMHNYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-20-14-9-4-3-8-13(14)16-21(18,19)17-10-6-5-7-12(17)11-15/h3-4,8-9,12,16H,2,5-7,10-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2-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-(2-ethoxyphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106048934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).