N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide

C14H18N4O2S — CID 75507248

IUPACN-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNc2cncc(C)n2)c1
InChIInChI=1S/C14H18N4O2S/c1-11-7-16-9-14(18-11)17-8-12-4-3-5-13(6-12)10-21(19,20)15-2/h3-7,9,15H,8,10H2,1-2H3,(H,17,18)
InChIKeyWPNLVMYUDNNPBB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide

N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 75507248) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide
PubChem CID75507248
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNc2cncc(C)n2)c1
InChIInChI=1S/C14H18N4O2S/c1-11-7-16-9-14(18-11)17-8-12-4-3-5-13(6-12)10-21(19,20)15-2/h3-7,9,15H,8,10H2,1-2H3,(H,17,18)
InChIKeyWPNLVMYUDNNPBB-UHFFFAOYSA-N
XLogP1.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide (CID 75507248) is N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide is CNS(=O)(=O)Cc1cccc(CNc2cncc(C)n2)c1.
What is the InChIKey of N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide?
The InChIKey is WPNLVMYUDNNPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-7-16-9-14(18-11)17-8-12-4-3-5-13(6-12)10-21(19,20)15-2/h3-7,9,15H,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide?
N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 75507248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).