N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C13H21N3OS2 — CID 104515918

IUPACN-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1CSCCS1
InChIInChI=1S/C13H21N3OS2/c1-3-4-14-11(10-9-18-7-8-19-10)12-13(17-2)16-6-5-15-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeyGNORNHVIPNISQT-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.37
Rot. Bonds6

About N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 104515918) has the molecular formula C13H21N3OS2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID104515918
Molecular FormulaC13H21N3OS2
Molecular Weight299.46 g/mol
Exact Mass299.11
IUPAC NameN-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C1CSCCS1
InChIInChI=1S/C13H21N3OS2/c1-3-4-14-11(10-9-18-7-8-19-10)12-13(17-2)16-6-5-15-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeyGNORNHVIPNISQT-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
N-[1,4-dithian-2-yl(furan-3-yl)methyl]propan-1-amine
CID 79965561
N-[(4-tert-butylphenyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79961294
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
1-(1,4-dithian-2-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530528
N-[(3-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 106645897

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 104515918) is N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1nccnc1OC)C1CSCCS1.
What is the InChIKey of N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is GNORNHVIPNISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-3-4-14-11(10-9-18-7-8-19-10)12-13(17-2)16-6-5-15-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dithian-2-yl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104515918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).