N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine

C10H17N3S — CID 64704450

IUPACN-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCNC(C)CC(C)Sc1cnccn1
InChIInChI=1S/C10H17N3S/c1-8(11-3)6-9(2)14-10-7-12-4-5-13-10/h4-5,7-9,11H,6H2,1-3H3
InChIKeyGALIGMREXGUPQS-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine

N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine (PubChem CID 64704450) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine
PubChem CID64704450
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCNC(C)CC(C)Sc1cnccn1
InChIInChI=1S/C10H17N3S/c1-8(11-3)6-9(2)14-10-7-12-4-5-13-10/h4-5,7-9,11H,6H2,1-3H3
InChIKeyGALIGMREXGUPQS-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine?
The IUPAC name of N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine (CID 64704450) is N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine?
The canonical SMILES for N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine is CNC(C)CC(C)Sc1cnccn1.
What is the InChIKey of N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine?
The InChIKey is GALIGMREXGUPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(11-3)6-9(2)14-10-7-12-4-5-13-10/h4-5,7-9,11H,6H2,1-3H3.
What are the key properties of N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine?
N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 64704450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).