2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid

C15H17ClO2S — CID 66153314

IUPAC2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1(Sc2ccccc2Cl)CC2(CCCC2)C1
InChIInChI=1S/C15H17ClO2S/c16-11-5-1-2-6-12(11)19-15(13(17)18)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyHIDNUFLHYPRTAQ-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid

2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid (PubChem CID 66153314) has the molecular formula C15H17ClO2S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid
PubChem CID66153314
Molecular FormulaC15H17ClO2S
Molecular Weight296.82 g/mol
Exact Mass296.06
IUPAC Name2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1(Sc2ccccc2Cl)CC2(CCCC2)C1
InChIInChI=1S/C15H17ClO2S/c16-11-5-1-2-6-12(11)19-15(13(17)18)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyHIDNUFLHYPRTAQ-UHFFFAOYSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid 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

2-(2-bromophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid
CID 66142865
2-phenylsulfanylspiro[3.5]nonane-2-carboxylic acid
CID 65142377
1-(2-methylphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 61344926
2-(3-methylphenyl)sulfanylspiro[3.5]nonane-2-carboxylic acid
CID 66112160
1-(2-bromophenyl)sulfanylcyclobutane-1-carboxylic acid
CID 66142666
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
2-anilino-2-(2-chlorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 68793685
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
1-benzhydrylsulfanylcyclopropane-1-carboxylic acid
CID 59639403
[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 66155248
(2S)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 99707450

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid (CID 66153314) is 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid is O=C(O)C1(Sc2ccccc2Cl)CC2(CCCC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid?
The InChIKey is HIDNUFLHYPRTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2S/c16-11-5-1-2-6-12(11)19-15(13(17)18)9-14(10-15)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid?
2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid has a molecular weight of 296.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 66153314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).