2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine

C11H19N3S — CID 65136135

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
SMILESCCC(C)SCC(NC)c1cnccn1
InChIInChI=1S/C11H19N3S/c1-4-9(2)15-8-11(12-3)10-7-13-5-6-14-10/h5-7,9,11-12H,4,8H2,1-3H3
InChIKeyRBVSXQALKZQUIS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.27
Rot. Bonds6

About 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine

2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine (PubChem CID 65136135) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
PubChem CID65136135
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
SMILESCCC(C)SCC(NC)c1cnccn1
InChIInChI=1S/C11H19N3S/c1-4-9(2)15-8-11(12-3)10-7-13-5-6-14-10/h5-7,9,11-12H,4,8H2,1-3H3
InChIKeyRBVSXQALKZQUIS-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066583
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
[2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105226940
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine (CID 65136135) is 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine is CCC(C)SCC(NC)c1cnccn1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine?
The InChIKey is RBVSXQALKZQUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-9(2)15-8-11(12-3)10-7-13-5-6-14-10/h5-7,9,11-12H,4,8H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 65136135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).