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

C7H13N5O2S — CID 78988761

IUPACN-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cncc(N)n1
InChIInChI=1S/C7H13N5O2S/c1-15(13,14)11-3-2-10-7-5-9-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H3,8,10,12)
InChIKeyZKCSAUDPKXEMQD-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.98
Rot. Bonds5

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

N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 78988761) has the molecular formula C7H13N5O2S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID78988761
Molecular FormulaC7H13N5O2S
Molecular Weight231.28 g/mol
Exact Mass231.08
IUPAC NameN-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cncc(N)n1
InChIInChI=1S/C7H13N5O2S/c1-15(13,14)11-3-2-10-7-5-9-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H3,8,10,12)
InChIKeyZKCSAUDPKXEMQD-UHFFFAOYSA-N
XLogP-0.98
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide (CID 78988761) is N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cncc(N)n1.
What is the InChIKey of N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is ZKCSAUDPKXEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S/c1-15(13,14)11-3-2-10-7-5-9-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H3,8,10,12).
What are the key properties of N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 78988761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).