N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide

C12H21N5O2S — CID 114388291

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1nnc(NS(=O)(=O)CCC2CCCCN2)nc1C
InChIInChI=1S/C12H21N5O2S/c1-9-10(2)15-16-12(14-9)17-20(18,19)8-6-11-5-3-4-7-13-11/h11,13H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyLWFVDYBWQNFEDL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.76
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 114388291) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
PubChem CID114388291
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1nnc(NS(=O)(=O)CCC2CCCCN2)nc1C
InChIInChI=1S/C12H21N5O2S/c1-9-10(2)15-16-12(14-9)17-20(18,19)8-6-11-5-3-4-7-13-11/h11,13H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyLWFVDYBWQNFEDL-UHFFFAOYSA-N
XLogP0.76
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
CID 106261891
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide (CID 114388291) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide is Cc1nnc(NS(=O)(=O)CCC2CCCCN2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is LWFVDYBWQNFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-9-10(2)15-16-12(14-9)17-20(18,19)8-6-11-5-3-4-7-13-11/h11,13H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 114388291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).