2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide

C10H18N4O2S — CID 55122291

IUPAC2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C10H18N4O2S/c1-3-11-4-5-17(15,16)14-8-10-7-12-9(2)6-13-10/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyCPZFACIEXLQRCX-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.19
Rot. Bonds7

About 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide

2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (PubChem CID 55122291) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
PubChem CID55122291
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C10H18N4O2S/c1-3-11-4-5-17(15,16)14-8-10-7-12-9(2)6-13-10/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyCPZFACIEXLQRCX-UHFFFAOYSA-N
XLogP-0.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (CID 55122291) is 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is CCNCCS(=O)(=O)NCc1cnc(C)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The InChIKey is CPZFACIEXLQRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-11-4-5-17(15,16)14-8-10-7-12-9(2)6-13-10/h6-7,11,14H,3-5,8H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 55122291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).