N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C9H17N5O2S — CID 78953806

IUPACN-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cncc(N)n1)NS(C)(=O)=O
InChIInChI=1S/C9H17N5O2S/c1-9(2,14-17(3,15)16)6-12-8-5-11-4-7(10)13-8/h4-5,14H,6H2,1-3H3,(H3,10,12,13)
InChIKeyBANHMLKROOLSFS-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.20
Rot. Bonds5

About N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 78953806) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID78953806
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cncc(N)n1)NS(C)(=O)=O
InChIInChI=1S/C9H17N5O2S/c1-9(2,14-17(3,15)16)6-12-8-5-11-4-7(10)13-8/h4-5,14H,6H2,1-3H3,(H3,10,12,13)
InChIKeyBANHMLKROOLSFS-UHFFFAOYSA-N
XLogP-0.20
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 78953806) is N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1cncc(N)n1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is BANHMLKROOLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-9(2,14-17(3,15)16)6-12-8-5-11-4-7(10)13-8/h4-5,14H,6H2,1-3H3,(H3,10,12,13).
What are the key properties of N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 78953806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).