2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide

C12H15N3O2S2 — CID 55174098

IUPAC2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccsc1
InChIInChI=1S/C12H15N3O2S2/c1-2-13-12-11(4-3-6-14-12)19(16,17)15-8-10-5-7-18-9-10/h3-7,9,15H,2,8H2,1H3,(H,13,14)
InChIKeyIFGGDZZHQATARV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.05
Rot. Bonds6

About 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide

2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 55174098) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID55174098
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccsc1
InChIInChI=1S/C12H15N3O2S2/c1-2-13-12-11(4-3-6-14-12)19(16,17)15-8-10-5-7-18-9-10/h3-7,9,15H,2,8H2,1H3,(H,13,14)
InChIKeyIFGGDZZHQATARV-UHFFFAOYSA-N
XLogP2.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106383311
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
2-hydrazinyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244355

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide (CID 55174098) is 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCc1ccsc1.
What is the InChIKey of 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is IFGGDZZHQATARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-13-12-11(4-3-6-14-12)19(16,17)15-8-10-5-7-18-9-10/h3-7,9,15H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 55174098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).