4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol

C13H20BrNOS — CID 79595166

IUPAC4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C13H20BrNOS/c1-2-6-15-7-3-4-13(16,5-8-15)11-9-17-10-12(11)14/h9-10,16H,2-8H2,1H3
InChIKeyJPIYWSNTSZAFSB-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.59
Rot. Bonds3

About 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol

4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol (PubChem CID 79595166) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol
PubChem CID79595166
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C13H20BrNOS/c1-2-6-15-7-3-4-13(16,5-8-15)11-9-17-10-12(11)14/h9-10,16H,2-8H2,1H3
InChIKeyJPIYWSNTSZAFSB-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[4-(trifluoromethyl)thiophen-3-yl]azepan-4-ol
CID 112745485
1-Methyl-4-thiophen-3-ylazepan-4-ol
CID 65099397
1-Ethyl-4-thiophen-3-ylazepan-4-ol
CID 65099399
1-Propyl-4-thiophen-3-ylazepan-4-ol
CID 65099455
1-Propan-2-yl-4-thiophen-3-ylazepan-4-ol
CID 65099457
4-(4-Bromothiophen-3-yl)-1-methylazepan-4-ol
CID 79595054
4-(4-Bromothiophen-3-yl)-1-ethylazepan-4-ol
CID 79595055
4-(4-Bromothiophen-3-yl)-1-methylpiperidin-4-ol
CID 79595153
4-(4-Bromothiophen-3-yl)-1-propan-2-ylazepan-4-ol
CID 79595167
4-(4-Bromothiophen-3-yl)-1-ethylpiperidin-4-ol
CID 79595264
4-(4-Bromothiophen-3-yl)-1-propylpiperidin-4-ol
CID 79595265
2-(Azepan-1-yl)-1-(4-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 79595305

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol (CID 79595166) is 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2cscc2Br)CC1.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol?
The InChIKey is JPIYWSNTSZAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-2-6-15-7-3-4-13(16,5-8-15)11-9-17-10-12(11)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol?
4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol has a molecular weight of 318.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 79595166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).