3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide

C12H19N3O2S2 — CID 103307536

IUPAC3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C12H19N3O2S2/c1-2-13-11-4-3-7-14-12(11)19(16,17)15-10-5-8-18-9-6-10/h3-4,7,10,13,15H,2,5-6,8-9H2,1H3
InChIKeyXFSLHVJRSLCGRC-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.69
Rot. Bonds5

About 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide

3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide (PubChem CID 103307536) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide
PubChem CID103307536
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C12H19N3O2S2/c1-2-13-11-4-3-7-14-12(11)19(16,17)15-10-5-8-18-9-6-10/h3-4,7,10,13,15H,2,5-6,8-9H2,1H3
InChIKeyXFSLHVJRSLCGRC-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(ethylamino)-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103305993
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
N-(1-cyclopropylpyrrolidin-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103305291
N-cyclobutyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305744
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
3-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-2-sulfonamide
CID 103307452
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
CID 103306610
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide (CID 103307536) is 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide?
The InChIKey is XFSLHVJRSLCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-2-13-11-4-3-7-14-12(11)19(16,17)15-10-5-8-18-9-6-10/h3-4,7,10,13,15H,2,5-6,8-9H2,1H3.
What are the key properties of 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide?
3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 103307536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).