3-(5-bromothiophen-2-yl)cyclohexan-1-amine

C10H14BrNS — CID 83551915

IUPAC3-(5-bromothiophen-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(Br)s2)C1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h4-5,7-8H,1-3,6,12H2
InChIKeyNHEYJYZENSACSC-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.50
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)cyclohexan-1-amine

3-(5-bromothiophen-2-yl)cyclohexan-1-amine (PubChem CID 83551915) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)cyclohexan-1-amine
PubChem CID83551915
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name3-(5-bromothiophen-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(Br)s2)C1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h4-5,7-8H,1-3,6,12H2
InChIKeyNHEYJYZENSACSC-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)cyclohexan-1-amine (CID 83551915) is 3-(5-bromothiophen-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)cyclohexan-1-amine is NC1CCCC(c2ccc(Br)s2)C1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)cyclohexan-1-amine?
The InChIKey is NHEYJYZENSACSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h4-5,7-8H,1-3,6,12H2.
What are the key properties of 3-(5-bromothiophen-2-yl)cyclohexan-1-amine?
3-(5-bromothiophen-2-yl)cyclohexan-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 83551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).