(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

C14H25N5O4S — CID 129326756

IUPAC(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
SMILESCOCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C14H25N5O4S/c1-10-8-23-11(2)7-19(10)24(20,21)17-12-5-4-6-18-14(12)15-13(16-18)9-22-3/h10-12,17H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyMWBCQKMUNFISHN-TUAOUCFPSA-N
MW359.45 g/mol
LogP0.20
Rot. Bonds5

About (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

(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 (PubChem CID 129326756) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129326756
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC Name(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
SMILESCOCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C14H25N5O4S/c1-10-8-23-11(2)7-19(10)24(20,21)17-12-5-4-6-18-14(12)15-13(16-18)9-22-3/h10-12,17H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyMWBCQKMUNFISHN-TUAOUCFPSA-N
XLogP0.20
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is MWBCQKMUNFISHN-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-10-8-23-11(2)7-19(10)24(20,21)17-12-5-4-6-18-14(12)15-13(16-18)9-22-3/h10-12,17H,4-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.45 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129326756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).