4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol

C11H16BrNOS — CID 43432018

IUPAC4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C11H16BrNOS/c12-11-5-8(7-15-11)6-13-9-1-3-10(14)4-2-9/h5,7,9-10,13-14H,1-4,6H2
InChIKeyALWRSYDCEVTHOK-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.90
Rot. Bonds3

About 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol

4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 43432018) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol
PubChem CID43432018
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C11H16BrNOS/c12-11-5-8(7-15-11)6-13-9-1-3-10(14)4-2-9/h5,7,9-10,13-14H,1-4,6H2
InChIKeyALWRSYDCEVTHOK-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol (CID 43432018) is 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2csc(Br)c2)CC1.
What is the InChIKey of 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ALWRSYDCEVTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-5-8(7-15-11)6-13-9-1-3-10(14)4-2-9/h5,7,9-10,13-14H,1-4,6H2.
What are the key properties of 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol?
4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).