1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol

C11H15ClO3S2 — CID 65154137

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-17(14,15)9-3-2-6-11(9,13)7-8-4-5-10(12)16-8/h4-5,9,13H,2-3,6-7H2,1H3
InChIKeyJEZJSSCLSCIZAN-UHFFFAOYSA-N
MW294.82 g/mol
LogP2.27
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol

1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65154137) has the molecular formula C11H15ClO3S2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID65154137
Molecular FormulaC11H15ClO3S2
Molecular Weight294.82 g/mol
Exact Mass294.02
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-17(14,15)9-3-2-6-11(9,13)7-8-4-5-10(12)16-8/h4-5,9,13H,2-3,6-7H2,1H3
InChIKeyJEZJSSCLSCIZAN-UHFFFAOYSA-N
XLogP2.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154190
1-[(3,4-dimethylphenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050312
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
1-[(5-chlorothiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315214
1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050307
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
4-[(5-chlorothiophen-2-yl)methyl]azepan-4-ol
CID 103982903
1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55186774
1-[(5-chlorothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393039

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol (CID 65154137) is 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is JEZJSSCLSCIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S2/c1-17(14,15)9-3-2-6-11(9,13)7-8-4-5-10(12)16-8/h4-5,9,13H,2-3,6-7H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 294.82 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65154137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).