N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine

C11H19N3S — CID 64626223

IUPACN-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-10(12-2)5-3-4-8-15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyXFRMUDUFYQFZHU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.35
Rot. Bonds7

About N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine

N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine (PubChem CID 64626223) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine
PubChem CID64626223
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-10(12-2)5-3-4-8-15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyXFRMUDUFYQFZHU-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine?
The IUPAC name of N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine (CID 64626223) is N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine?
The canonical SMILES for N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine is CNC(C)CCCCSc1cnccn1.
What is the InChIKey of N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine?
The InChIKey is XFRMUDUFYQFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10(12-2)5-3-4-8-15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine?
N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine is sourced from PubChem (CID 64626223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).