6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide

C9H12N6O2S2 — CID 114914131

IUPAC6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2nnns2)cn1
InChIInChI=1S/C9H12N6O2S2/c1-2-5-10-8-4-3-7(6-11-8)19(16,17)13-9-12-14-15-18-9/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13,15)
InChIKeyRYZKKOWROANTCJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds6

About 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide

6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide (PubChem CID 114914131) has the molecular formula C9H12N6O2S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
PubChem CID114914131
Molecular FormulaC9H12N6O2S2
Molecular Weight300.37 g/mol
Exact Mass300.05
IUPAC Name6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2nnns2)cn1
InChIInChI=1S/C9H12N6O2S2/c1-2-5-10-8-4-3-7(6-11-8)19(16,17)13-9-12-14-15-18-9/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13,15)
InChIKeyRYZKKOWROANTCJ-UHFFFAOYSA-N
XLogP0.95
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62152436
4-[1-(propylamino)ethyl]-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912868
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
N-(4-methyl-3-pyridinyl)-6-(propylamino)pyridine-3-sulfonamide
CID 63328166
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914138

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide (CID 114914131) is 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)Nc2nnns2)cn1.
What is the InChIKey of 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is RYZKKOWROANTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S2/c1-2-5-10-8-4-3-7(6-11-8)19(16,17)13-9-12-14-15-18-9/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13,15).
What are the key properties of 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 300.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114914131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).