N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine

C12H21N3S — CID 64625824

IUPACN-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCCCNC(CCC)CSc1cnccn1
InChIInChI=1S/C12H21N3S/c1-3-5-11(14-6-4-2)10-16-12-9-13-7-8-15-12/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyLYXXISAKOKLRMI-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.74
Rot. Bonds8

About N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine

N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine (PubChem CID 64625824) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
PubChem CID64625824
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
SMILESCCCNC(CCC)CSc1cnccn1
InChIInChI=1S/C12H21N3S/c1-3-5-11(14-6-4-2)10-16-12-9-13-7-8-15-12/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyLYXXISAKOKLRMI-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
CID 64625820
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpentan-2-amine
CID 106927844
N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64627425
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine?
The IUPAC name of N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine (CID 64625824) is N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine?
The canonical SMILES for N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine is CCCNC(CCC)CSc1cnccn1.
What is the InChIKey of N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine?
The InChIKey is LYXXISAKOKLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-5-11(14-6-4-2)10-16-12-9-13-7-8-15-12/h7-9,11,14H,3-6,10H2,1-2H3.
What are the key properties of N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine?
N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 64625824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).