azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol

C11H15BrClNOS — CID 102830007

IUPACazepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)C1CCCCCN1
InChIInChI=1S/C11H15BrClNOS/c12-7-6-9(16-11(7)13)10(15)8-4-2-1-3-5-14-8/h6,8,10,14-15H,1-5H2
InChIKeyITPJAOCNICMOAR-UHFFFAOYSA-N
MW324.67 g/mol
LogP3.73
Rot. Bonds2

About azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol

azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol (PubChem CID 102830007) has the molecular formula C11H15BrClNOS and a molecular weight of 324.67 g/mol. Its IUPAC name is azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
PubChem CID102830007
Molecular FormulaC11H15BrClNOS
Molecular Weight324.67 g/mol
Exact Mass322.97
IUPAC Nameazepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)C1CCCCCN1
InChIInChI=1S/C11H15BrClNOS/c12-7-6-9(16-11(7)13)10(15)8-4-2-1-3-5-14-8/h6,8,10,14-15H,1-5H2
InChIKeyITPJAOCNICMOAR-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
CID 80535555
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
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(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
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3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764
3-bromo-2-chloro-5-[chloro(cyclooctyl)methyl]thiophene
CID 102836286
2-[(4-bromo-5-chlorothiophen-2-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 102829020
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone
CID 102827007
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
CID 23658593
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol?
The IUPAC name of azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol (CID 102830007) is azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol?
The canonical SMILES for azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol is OC(c1cc(Br)c(Cl)s1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol?
The InChIKey is ITPJAOCNICMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNOS/c12-7-6-9(16-11(7)13)10(15)8-4-2-1-3-5-14-8/h6,8,10,14-15H,1-5H2.
What are the key properties of azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol?
azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol has a molecular weight of 324.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 102830007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).