4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide

C13H19N3O4S — CID 106023610

IUPAC4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H19N3O4S/c14-8-10-3-5-16(6-4-10)21(17,18)15-11-1-2-12-13(7-11)20-9-19-12/h1-2,7,10,15H,3-6,8-9,14H2
InChIKeyUQIYREYDGILFFE-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide (PubChem CID 106023610) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
PubChem CID106023610
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H19N3O4S/c14-8-10-3-5-16(6-4-10)21(17,18)15-11-1-2-12-13(7-11)20-9-19-12/h1-2,7,10,15H,3-6,8-9,14H2
InChIKeyUQIYREYDGILFFE-UHFFFAOYSA-N
XLogP0.74
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46086764
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 46086767
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide (CID 106023610) is 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide?
The InChIKey is UQIYREYDGILFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-8-10-3-5-16(6-4-10)21(17,18)15-11-1-2-12-13(7-11)20-9-19-12/h1-2,7,10,15H,3-6,8-9,14H2.
What are the key properties of 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106023610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).