[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium

C11H13BrNS+ — CID 163800451

IUPAC[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium
SMILESC#[N+]C1(c2ccc(Br)s2)CCCCC1
InChIInChI=1S/C11H13BrNS/c1-13-11(7-3-2-4-8-11)9-5-6-10(12)14-9/h1,5-6H,2-4,7-8H2/q+1
InChIKeyBISDOLUZBQVYCD-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.63
Rot. Bonds1

About [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium

[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium (PubChem CID 163800451) has the molecular formula C11H13BrNS+ and a molecular weight of 271.20 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium
PubChem CID163800451
Molecular FormulaC11H13BrNS+
Molecular Weight271.20 g/mol
Exact Mass269.99
IUPAC Name[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium
SMILESC#[N+]C1(c2ccc(Br)s2)CCCCC1
InChIInChI=1S/C11H13BrNS/c1-13-11(7-3-2-4-8-11)9-5-6-10(12)14-9/h1,5-6H,2-4,7-8H2/q+1
InChIKeyBISDOLUZBQVYCD-UHFFFAOYSA-N
XLogP4.63
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium?
The IUPAC name of [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium (CID 163800451) is [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium?
The canonical SMILES for [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium is C#[N+]C1(c2ccc(Br)s2)CCCCC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium?
The InChIKey is BISDOLUZBQVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrNS/c1-13-11(7-3-2-4-8-11)9-5-6-10(12)14-9/h1,5-6H,2-4,7-8H2/q+1.
What are the key properties of [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium?
[1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium has a molecular weight of 271.20 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)cyclohexyl]-methylidyneazanium is sourced from PubChem (CID 163800451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).