N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide

C14H20N4O3S2 — CID 129381454

IUPACN-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCOCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C14H20N4O3S2/c1-9-7-12(10(2)22-9)23(19,20)17-11-5-4-6-18-14(11)15-13(16-18)8-21-3/h7,11,17H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyDGRDDEIFWUJRJH-NSHDSACASA-N
MW356.47 g/mol
LogP1.92
Rot. Bonds5

About N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide

N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 129381454) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID129381454
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC NameN-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCOCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C14H20N4O3S2/c1-9-7-12(10(2)22-9)23(19,20)17-11-5-4-6-18-14(11)15-13(16-18)8-21-3/h7,11,17H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyDGRDDEIFWUJRJH-NSHDSACASA-N
XLogP1.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide with MolForge

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Related Compounds

5-chloro-N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 129381495
N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
CID 129471482
8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128996618
2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128968425
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1H-indene-2-sulfonamide
CID 128996608
(2R,5S)-N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 129326756
(8R)-2-(methoxymethyl)-N-(5-methyl-3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97226345
(8S)-N-[(3-chloro-4-methylphenyl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124628702
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
(8S)-N-[(1S,3R)-3-ethylcyclopentyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124856463
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 129002353
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
CID 97226202

Frequently Asked Questions

What is the IUPAC name of N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide (CID 129381454) is N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide is COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is DGRDDEIFWUJRJH-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-9-7-12(10(2)22-9)23(19,20)17-11-5-4-6-18-14(11)15-13(16-18)8-21-3/h7,11,17H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide?
N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 129381454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).