N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine

C16H21N3S — CID 64627425

IUPACN-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESCNC(CSc1cnccn1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(2)13-4-6-14(7-5-13)15(17-3)11-20-16-10-18-8-9-19-16/h4-10,12,15,17H,11H2,1-3H3
InChIKeyKDXRPUXLVLVKQP-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.65
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine

N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine (PubChem CID 64627425) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
PubChem CID64627425
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESCNC(CSc1cnccn1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(2)13-4-6-14(7-5-13)15(17-3)11-20-16-10-18-8-9-19-16/h4-10,12,15,17H,11H2,1-3H3
InChIKeyKDXRPUXLVLVKQP-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine (CID 64627425) is N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine is CNC(CSc1cnccn1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine?
The InChIKey is KDXRPUXLVLVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12(2)13-4-6-14(7-5-13)15(17-3)11-20-16-10-18-8-9-19-16/h4-10,12,15,17H,11H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine?
N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine is sourced from PubChem (CID 64627425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).