2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide

C13H22N4OS — CID 64704753

IUPAC2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
SMILESCC(C)NC(C)(CC(C)Sc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-9(2)17-13(4,12(14)18)7-10(3)19-11-8-15-5-6-16-11/h5-6,8-10,17H,7H2,1-4H3,(H2,14,18)
InChIKeyZLZIQLACMIEGGN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide

2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide (PubChem CID 64704753) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
PubChem CID64704753
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
SMILESCC(C)NC(C)(CC(C)Sc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-9(2)17-13(4,12(14)18)7-10(3)19-11-8-15-5-6-16-11/h5-6,8-10,17H,7H2,1-4H3,(H2,14,18)
InChIKeyZLZIQLACMIEGGN-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide (CID 64704753) is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide is CC(C)NC(C)(CC(C)Sc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide?
The InChIKey is ZLZIQLACMIEGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)17-13(4,12(14)18)7-10(3)19-11-8-15-5-6-16-11/h5-6,8-10,17H,7H2,1-4H3,(H2,14,18).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide?
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide is sourced from PubChem (CID 64704753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).