2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide

C13H22N4O2S — CID 62157571

IUPAC2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-17-9-6-11(7-10-17)16(2)20(18,19)12-5-4-8-15-13(12)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyAUYXUGXGGFEORJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide

2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 62157571) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
PubChem CID62157571
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-17-9-6-11(7-10-17)16(2)20(18,19)12-5-4-8-15-13(12)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyAUYXUGXGGFEORJ-UHFFFAOYSA-N
XLogP0.77
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide (CID 62157571) is 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cccnc2N)CC1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is AUYXUGXGGFEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-17-9-6-11(7-10-17)16(2)20(18,19)12-5-4-8-15-13(12)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62157571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).