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

C15H18N4O5S — CID 129471482

IUPACN-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCOCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N4O5S/c1-22-8-14-16-15-11(3-2-6-19(15)17-14)18-25(20,21)10-4-5-12-13(7-10)24-9-23-12/h4-5,7,11,18H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyARYSRRLJZXPIKG-LLVKDONJSA-N
MW366.40 g/mol
LogP0.97
Rot. Bonds5

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

N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 129471482) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
PubChem CID129471482
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC NameN-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCOCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N4O5S/c1-22-8-14-16-15-11(3-2-6-19(15)17-14)18-25(20,21)10-4-5-12-13(7-10)24-9-23-12/h4-5,7,11,18H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyARYSRRLJZXPIKG-LLVKDONJSA-N
XLogP0.97
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
N-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 129471125
3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
CID 129000256
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 154736367
(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
1-(2,3-dihydro-1H-inden-5-yl)-3-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97063175
2-(methoxymethyl)-N-(3-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 133364845
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyridine-3-carbonitrile
CID 71918720
(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
(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233358
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 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) is N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide is COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ARYSRRLJZXPIKG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-22-8-14-16-15-11(3-2-6-19(15)17-14)18-25(20,21)10-4-5-12-13(7-10)24-9-23-12/h4-5,7,11,18H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide?
N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 366.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 129471482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).