1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine

C16H26ClN3S — CID 79920196

IUPAC1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)s1)N1CC2CCCCN2CC1C
InChIInChI=1S/C16H26ClN3S/c1-11-9-19-8-4-3-5-13(19)10-20(11)16(12(2)18)14-6-7-15(17)21-14/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3
InChIKeySGZUYMRGXZQFFY-UHFFFAOYSA-N
MW327.93 g/mol
LogP3.35
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine

1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine (PubChem CID 79920196) has the molecular formula C16H26ClN3S and a molecular weight of 327.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
PubChem CID79920196
Molecular FormulaC16H26ClN3S
Molecular Weight327.93 g/mol
Exact Mass327.15
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)s1)N1CC2CCCCN2CC1C
InChIInChI=1S/C16H26ClN3S/c1-11-9-19-8-4-3-5-13(19)10-20(11)16(12(2)18)14-6-7-15(17)21-14/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3
InChIKeySGZUYMRGXZQFFY-UHFFFAOYSA-N
XLogP3.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine with MolForge

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918302
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 63150324
1-(4-chlorophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79928366
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-(4-bromophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79926191
3-methyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939451
2-(5-bromothiophen-2-yl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanamine
CID 79930781
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyridin-2-ylpropan-2-amine
CID 79941329
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 79919730
3-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79925054
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine (CID 79920196) is 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine is CC(N)C(c1ccc(Cl)s1)N1CC2CCCCN2CC1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine?
The InChIKey is SGZUYMRGXZQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3S/c1-11-9-19-8-4-3-5-13(19)10-20(11)16(12(2)18)14-6-7-15(17)21-14/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine has a molecular weight of 327.93 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine is sourced from PubChem (CID 79920196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).