2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid

C11H13ClO2S — CID 81008089

IUPAC2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClO2S/c12-10-5-4-8(15-10)6-7-2-1-3-9(7)11(13)14/h4-5,7,9H,1-3,6H2,(H,13,14)
InChIKeySQEZEOQSHBCBEM-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.44
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid

2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81008089) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID81008089
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClO2S/c12-10-5-4-8(15-10)6-7-2-1-3-9(7)11(13)14/h4-5,7,9H,1-3,6H2,(H,13,14)
InChIKeySQEZEOQSHBCBEM-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
2-(1,2-thiazol-5-ylmethyl)cyclopentane-1-carboxylic acid
CID 164652998
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977123
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-[(4-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114862572
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 81008089) is 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SQEZEOQSHBCBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-10-5-4-8(15-10)6-7-2-1-3-9(7)11(13)14/h4-5,7,9H,1-3,6H2,(H,13,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 244.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).