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

C12H18BrNOS — CID 103271388

IUPAC3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1sccc1Br
InChIInChI=1S/C12H18BrNOS/c1-8(12-11(13)4-5-16-12)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3
InChIKeyXHIKKKVTARFBRD-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.32
Rot. Bonds4

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

3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103271388) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103271388
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1sccc1Br
InChIInChI=1S/C12H18BrNOS/c1-8(12-11(13)4-5-16-12)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3
InChIKeyXHIKKKVTARFBRD-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol (CID 103271388) is 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCC(O)C1)c1sccc1Br.
What is the InChIKey of 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is XHIKKKVTARFBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8(12-11(13)4-5-16-12)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3.
What are the key properties of 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 304.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).