5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

C17H23N3S — CID 103059685

IUPAC5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H23N3S/c1-4-9-18-17-11-19-15(10-20-17)12-21-16-7-5-14(6-8-16)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,18,20)
InChIKeyMGCUWVAYFHYXSW-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.71
Rot. Bonds7

About 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine (PubChem CID 103059685) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
PubChem CID103059685
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H23N3S/c1-4-9-18-17-11-19-15(10-20-17)12-21-16-7-5-14(6-8-16)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,18,20)
InChIKeyMGCUWVAYFHYXSW-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060195
N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060121
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
CID 103059867
(1R)-1-[6-(propylamino)-3-pyridinyl]ethanol
CID 124502793
[5-(naphthalen-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062053
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine (CID 103059685) is 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CSc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The InChIKey is MGCUWVAYFHYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-9-18-17-11-19-15(10-20-17)12-21-16-7-5-14(6-8-16)13(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,18,20).
What are the key properties of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).