4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine

C11H19N3S — CID 63380847

IUPAC4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCC(N)C(Sc1cnccn1)C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-8(12)10(11(2,3)4)15-9-7-13-5-6-14-9/h5-8,10H,12H2,1-4H3
InChIKeyDGYUJSNXLFXKNS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.33
Rot. Bonds3

About 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine

4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine (PubChem CID 63380847) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine
PubChem CID63380847
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCC(N)C(Sc1cnccn1)C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-8(12)10(11(2,3)4)15-9-7-13-5-6-14-9/h5-8,10H,12H2,1-4H3
InChIKeyDGYUJSNXLFXKNS-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine?
The IUPAC name of 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine (CID 63380847) is 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine?
The canonical SMILES for 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine is CC(N)C(Sc1cnccn1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine?
The InChIKey is DGYUJSNXLFXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(12)10(11(2,3)4)15-9-7-13-5-6-14-9/h5-8,10H,12H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine?
4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-pyrazin-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 63380847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).