1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide

C15H26N4O3S — CID 129398295

IUPAC1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)CC2
InChIInChI=1S/C15H26N4O3S/c1-11(2)15-17-16-14-7-6-12(9-19(14)15)18-23(20,21)10-13-5-3-4-8-22-13/h11-13,18H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyUOVHMWVXYASNOY-QWHCGFSZSA-N
MW342.47 g/mol
LogP1.20
Rot. Bonds5

About 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide

1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide (PubChem CID 129398295) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
PubChem CID129398295
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)CC2
InChIInChI=1S/C15H26N4O3S/c1-11(2)15-17-16-14-7-6-12(9-19(14)15)18-23(20,21)10-13-5-3-4-8-22-13/h11-13,18H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyUOVHMWVXYASNOY-QWHCGFSZSA-N
XLogP1.20
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide with MolForge

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Related Compounds

3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
CID 97344909
N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95329750
3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide
CID 100675294
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide
CID 97344920
N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120663977
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
(6R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95138472
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807012
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
N-[(5-chlorothiophen-2-yl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772945

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide (CID 129398295) is 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide is CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)CC2.
What is the InChIKey of 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is UOVHMWVXYASNOY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11(2)15-17-16-14-7-6-12(9-19(14)15)18-23(20,21)10-13-5-3-4-8-22-13/h11-13,18H,3-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide?
1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 129398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).