N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide

C13H22N4O2S — CID 62846320

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C13H22N4O2S/c1-11-8-16-13(9-15-11)10-17-20(18,19)7-5-12-4-2-3-6-14-12/h8-9,12,14,17H,2-7,10H2,1H3
InChIKeyZLLPAQQRXFBNFN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.74
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide

N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 62846320) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
PubChem CID62846320
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCC2CCCCN2)cn1
InChIInChI=1S/C13H22N4O2S/c1-11-8-16-13(9-15-11)10-17-20(18,19)7-5-12-4-2-3-6-14-12/h8-9,12,14,17H,2-7,10H2,1H3
InChIKeyZLLPAQQRXFBNFN-UHFFFAOYSA-N
XLogP0.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
CID 114134767
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540310
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide (CID 62846320) is N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide is Cc1cnc(CNS(=O)(=O)CCC2CCCCN2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is ZLLPAQQRXFBNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11-8-16-13(9-15-11)10-17-20(18,19)7-5-12-4-2-3-6-14-12/h8-9,12,14,17H,2-7,10H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 62846320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).