1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid

C15H18O2S — CID 117410996

IUPAC1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(SC3CC3)cc2)CCCC1
InChIInChI=1S/C15H18O2S/c16-14(17)15(9-1-2-10-15)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeySVCFYMUXLMNSBM-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid

1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117410996) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117410996
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(SC3CC3)cc2)CCCC1
InChIInChI=1S/C15H18O2S/c16-14(17)15(9-1-2-10-15)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeySVCFYMUXLMNSBM-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117454686
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117405018
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
CID 116992097
1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 90488138
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 117113991
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid (CID 117410996) is 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(SC3CC3)cc2)CCCC1.
What is the InChIKey of 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is SVCFYMUXLMNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c16-14(17)15(9-1-2-10-15)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13H,1-2,7-10H2,(H,16,17).
What are the key properties of 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid?
1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 262.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117410996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).