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

C11H16BrNOS — CID 79595054

IUPAC4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C11H16BrNOS/c1-13-5-2-3-11(14,4-6-13)9-7-15-8-10(9)12/h7-8,14H,2-6H2,1H3
InChIKeyOPDZAYBQKXITKC-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.81
Rot. Bonds1

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

4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol (PubChem CID 79595054) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol
PubChem CID79595054
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cscc2Br)CC1
InChIInChI=1S/C11H16BrNOS/c1-13-5-2-3-11(14,4-6-13)9-7-15-8-10(9)12/h7-8,14H,2-6H2,1H3
InChIKeyOPDZAYBQKXITKC-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.81
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-ethylazepan-4-ol
CID 79595055
4-(4-Bromothiophen-3-yl)-1-methylpiperidin-4-ol
CID 79595153
4-(4-Bromothiophen-3-yl)-1-propylazepan-4-ol
CID 79595166
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-methylazepan-4-ol?
The IUPAC name of 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol (CID 79595054) is 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol is CN1CCCC(O)(c2cscc2Br)CC1.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol?
The InChIKey is OPDZAYBQKXITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-13-5-2-3-11(14,4-6-13)9-7-15-8-10(9)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol?
4-(4-bromothiophen-3-yl)-1-methylazepan-4-ol has a molecular weight of 290.23 g/mol, XLogP of 2.81, 1 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-methylazepan-4-ol is sourced from PubChem (CID 79595054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).