4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline

C14H14ClNS — CID 24878770

IUPAC4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C14H14ClNS/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2
InChIKeyNZULPZJFDLJJCJ-UHFFFAOYSA-N
MW263.79 g/mol
LogP5.13
Rot. Bonds5

About 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline

4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline (PubChem CID 24878770) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline
PubChem CID24878770
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline
SMILESC=CCC(Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C14H14ClNS/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2
InChIKeyNZULPZJFDLJJCJ-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline?
The IUPAC name of 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline (CID 24878770) is 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline?
The canonical SMILES for 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline is C=CCC(Nc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline?
The InChIKey is NZULPZJFDLJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-2-3-14(11-8-9-17-10-11)16-13-6-4-12(15)5-7-13/h2,4-10,14,16H,1,3H2.
What are the key properties of 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline?
4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline has a molecular weight of 263.79 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-thiophen-3-ylbut-3-enyl)aniline is sourced from PubChem (CID 24878770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).