1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine

C16H17NS3 — CID 170888631

IUPAC1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C16H17NS3/c1-2-11(17)10-12-5-6-15(19-12)16-8-7-14(20-16)13-4-3-9-18-13/h3-9,11H,2,10,17H2,1H3
InChIKeyHCPALUFCRWYPJM-UHFFFAOYSA-N
MW319.52 g/mol
LogP5.48
Rot. Bonds5

About 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine

1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine (PubChem CID 170888631) has the molecular formula C16H17NS3 and a molecular weight of 319.52 g/mol. Its IUPAC name is 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
PubChem CID170888631
Molecular FormulaC16H17NS3
Molecular Weight319.52 g/mol
Exact Mass319.05
IUPAC Name1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C16H17NS3/c1-2-11(17)10-12-5-6-15(19-12)16-8-7-14(20-16)13-4-3-9-18-13/h3-9,11H,2,10,17H2,1H3
InChIKeyHCPALUFCRWYPJM-UHFFFAOYSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propan-2-amine
CID 170890943
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
CID 86183810
N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
CID 100937102
2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 129214307
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 3-methylbut-2-enoate
CID 10247992

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine?
The IUPAC name of 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine (CID 170888631) is 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine?
The canonical SMILES for 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine is CCC(N)Cc1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine?
The InChIKey is HCPALUFCRWYPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS3/c1-2-11(17)10-12-5-6-15(19-12)16-8-7-14(20-16)13-4-3-9-18-13/h3-9,11H,2,10,17H2,1H3.
What are the key properties of 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine?
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine has a molecular weight of 319.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine is sourced from PubChem (CID 170888631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).