N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine

C11H19N3S — CID 65129386

IUPACN-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
SMILESCCCSCC(NCC)c1cnccn1
InChIInChI=1S/C11H19N3S/c1-3-7-15-9-11(13-4-2)10-8-12-5-6-14-10/h5-6,8,11,13H,3-4,7,9H2,1-2H3
InChIKeyOVFUWKKUVBZIRF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.27
Rot. Bonds7

About N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine

N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine (PubChem CID 65129386) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
PubChem CID65129386
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
SMILESCCCSCC(NCC)c1cnccn1
InChIInChI=1S/C11H19N3S/c1-3-7-15-9-11(13-4-2)10-8-12-5-6-14-10/h5-6,8,11,13H,3-4,7,9H2,1-2H3
InChIKeyOVFUWKKUVBZIRF-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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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Related Compounds

N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
[2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105226940
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine?
The IUPAC name of N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine (CID 65129386) is N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine is CCCSCC(NCC)c1cnccn1.
What is the InChIKey of N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine?
The InChIKey is OVFUWKKUVBZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-7-15-9-11(13-4-2)10-8-12-5-6-14-10/h5-6,8,11,13H,3-4,7,9H2,1-2H3.
What are the key properties of N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine?
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 65129386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).