(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol

C12H16Cl2O3S2 — CID 107969794

IUPAC(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C12H16Cl2O3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)9-6-10(13)18-12(9)14/h6-8,11,15H,2-5H2,1H3
InChIKeyAERNEMVHLGINBC-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.69
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol

(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 107969794) has the molecular formula C12H16Cl2O3S2 and a molecular weight of 343.30 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID107969794
Molecular FormulaC12H16Cl2O3S2
Molecular Weight343.30 g/mol
Exact Mass341.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C12H16Cl2O3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)9-6-10(13)18-12(9)14/h6-8,11,15H,2-5H2,1H3
InChIKeyAERNEMVHLGINBC-UHFFFAOYSA-N
XLogP3.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)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

(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337
(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764
(3-chloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 103443446
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 105114882
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
(3-methylsulfonylcyclohexyl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129058
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol (CID 107969794) is (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol is CS(=O)(=O)C1CCCC(C(O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is AERNEMVHLGINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)9-6-10(13)18-12(9)14/h6-8,11,15H,2-5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol?
(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 343.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 107969794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).