[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol

C11H15Br2NO3S2 — CID 116636696

IUPAC[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCCCC1CO
InChIInChI=1S/C11H15Br2NO3S2/c12-10-6-9(11(13)18-10)19(16,17)14-5-3-1-2-4-8(14)7-15/h6,8,15H,1-5,7H2
InChIKeyJVCQICSMMXYFEE-UHFFFAOYSA-N
MW433.19 g/mol
LogP3.20
Rot. Bonds3

About [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol

[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol (PubChem CID 116636696) has the molecular formula C11H15Br2NO3S2 and a molecular weight of 433.19 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
PubChem CID116636696
Molecular FormulaC11H15Br2NO3S2
Molecular Weight433.19 g/mol
Exact Mass430.89
IUPAC Name[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCCCC1CO
InChIInChI=1S/C11H15Br2NO3S2/c12-10-6-9(11(13)18-10)19(16,17)14-5-3-1-2-4-8(14)7-15/h6,8,15H,1-5,7H2
InChIKeyJVCQICSMMXYFEE-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
5-bromo-4-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43266325
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155
[1-(2,5-dibromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 81326897
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol (CID 116636696) is [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol is O=S(=O)(c1cc(Br)sc1Br)N1CCCCCC1CO.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol?
The InChIKey is JVCQICSMMXYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S2/c12-10-6-9(11(13)18-10)19(16,17)14-5-3-1-2-4-8(14)7-15/h6,8,15H,1-5,7H2.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol?
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol has a molecular weight of 433.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116636696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).