3-thiophen-3-ylbut-2-en-1-amine

C8H11NS — CID 76997053

IUPAC3-thiophen-3-ylbut-2-en-1-amine
SMILESCC(=CCN)c1ccsc1
InChIInChI=1S/C8H11NS/c1-7(2-4-9)8-3-5-10-6-8/h2-3,5-6H,4,9H2,1H3
InChIKeyBJZGVFPYMWAYJI-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.11
Rot. Bonds2

About 3-thiophen-3-ylbut-2-en-1-amine

3-thiophen-3-ylbut-2-en-1-amine (PubChem CID 76997053) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-thiophen-3-ylbut-2-en-1-amine.

Molecular Properties

Compound Name3-thiophen-3-ylbut-2-en-1-amine
PubChem CID76997053
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-thiophen-3-ylbut-2-en-1-amine
SMILESCC(=CCN)c1ccsc1
InChIInChI=1S/C8H11NS/c1-7(2-4-9)8-3-5-10-6-8/h2-3,5-6H,4,9H2,1H3
InChIKeyBJZGVFPYMWAYJI-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
CID 143220817
2-thiophen-3-ylbut-2-enal
CID 173416997
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
3-(4-phenoxyphenyl)but-2-en-1-amine
CID 54192751
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
3-but-1-en-2-ylthiophene
CID 91086928
2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
CID 116610816
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
3-(1-chloro-2-iodoethenyl)thiophene
CID 175317820
(E)-2-thiophen-3-ylhept-2-enal
CID 10655448
3-propan-2-yl-4-thiophen-3-ylpent-3-en-2-one
CID 123751253
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylbut-2-en-1-amine?
The IUPAC name of 3-thiophen-3-ylbut-2-en-1-amine (CID 76997053) is 3-thiophen-3-ylbut-2-en-1-amine.
What is the SMILES notation for 3-thiophen-3-ylbut-2-en-1-amine?
The canonical SMILES for 3-thiophen-3-ylbut-2-en-1-amine is CC(=CCN)c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylbut-2-en-1-amine?
The InChIKey is BJZGVFPYMWAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7(2-4-9)8-3-5-10-6-8/h2-3,5-6H,4,9H2,1H3.
What are the key properties of 3-thiophen-3-ylbut-2-en-1-amine?
3-thiophen-3-ylbut-2-en-1-amine has a molecular weight of 153.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylbut-2-en-1-amine is sourced from PubChem (CID 76997053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).