4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide

C12H19N3O2S2 — CID 80586298

IUPAC4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C12H19N3O2S2/c1-2-14-11-5-6-13-9-12(11)19(16,17)15-8-10-4-3-7-18-10/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyYGIYLXJHKDEDJE-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.69
Rot. Bonds6

About 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide

4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 80586298) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID80586298
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C12H19N3O2S2/c1-2-14-11-5-6-13-9-12(11)19(16,17)15-8-10-4-3-7-18-10/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyYGIYLXJHKDEDJE-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
CID 82947585
4-(ethylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 80714391
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071713
N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
CID 104691705
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide (CID 80586298) is 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide is CCNc1ccncc1S(=O)(=O)NCC1CCCS1.
What is the InChIKey of 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is YGIYLXJHKDEDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-2-14-11-5-6-13-9-12(11)19(16,17)15-8-10-4-3-7-18-10/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide?
4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 80586298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).