1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine

C11H14BrNS — CID 121222757

IUPAC1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine
SMILESBrc1ccsc1/C=N/C1CCCCC1
InChIInChI=1S/C11H14BrNS/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-9H,1-5H2/b13-8+
InChIKeyJXBZQJSEZNLGMT-MDWZMJQESA-N
MW272.21 g/mol
LogP4.26
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine

1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine (PubChem CID 121222757) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine
PubChem CID121222757
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine
SMILESBrc1ccsc1/C=N/C1CCCCC1
InChIInChI=1S/C11H14BrNS/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-9H,1-5H2/b13-8+
InChIKeyJXBZQJSEZNLGMT-MDWZMJQESA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine (CID 121222757) is 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine is Brc1ccsc1/C=N/C1CCCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine?
The InChIKey is JXBZQJSEZNLGMT-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-9H,1-5H2/b13-8+.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine?
1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine has a molecular weight of 272.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine is sourced from PubChem (CID 121222757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).