3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol

C11H16BrNOS — CID 103270680

IUPAC3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-9-4-11(15-7-9)6-13-5-8-1-2-10(14)3-8/h4,7-8,10,13-14H,1-3,5-6H2
InChIKeyDXZNGPSBIIRSTD-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.76
Rot. Bonds4

About 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol

3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270680) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270680
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-9-4-11(15-7-9)6-13-5-8-1-2-10(14)3-8/h4,7-8,10,13-14H,1-3,5-6H2
InChIKeyDXZNGPSBIIRSTD-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 103270680) is 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCc2cc(Br)cs2)C1.
What is the InChIKey of 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is DXZNGPSBIIRSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-9-4-11(15-7-9)6-13-5-8-1-2-10(14)3-8/h4,7-8,10,13-14H,1-3,5-6H2.
What are the key properties of 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).