4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol

C11H16BrNOS — CID 115149414

IUPAC4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Br)s1)C1CCC(O)CC1
InChIInChI=1S/C11H16BrNOS/c1-13(11-7-6-10(12)15-11)8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3
InChIKeyXIPALEXYRNQHNS-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.25
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol

4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol (PubChem CID 115149414) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
PubChem CID115149414
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Br)s1)C1CCC(O)CC1
InChIInChI=1S/C11H16BrNOS/c1-13(11-7-6-10(12)15-11)8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3
InChIKeyXIPALEXYRNQHNS-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol (CID 115149414) is 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol is CN(c1ccc(Br)s1)C1CCC(O)CC1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is XIPALEXYRNQHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-13(11-7-6-10(12)15-11)8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).