1-cyclopentylsulfanylcyclopropane-1-carboxylic acid

C9H14O2S — CID 65141741

IUPAC1-cyclopentylsulfanylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(SC2CCCC2)CC1
InChIInChI=1S/C9H14O2S/c10-8(11)9(5-6-9)12-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)
InChIKeyUZWGGACMYJJWLS-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid

1-cyclopentylsulfanylcyclopropane-1-carboxylic acid (PubChem CID 65141741) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylsulfanylcyclopropane-1-carboxylic acid
PubChem CID65141741
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name1-cyclopentylsulfanylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(SC2CCCC2)CC1
InChIInChI=1S/C9H14O2S/c10-8(11)9(5-6-9)12-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)
InChIKeyUZWGGACMYJJWLS-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylic acid
CID 115000251
1-cyclopentylsulfanyl-2-methylcyclopentane-1-carboxylic acid
CID 79678876
ethyl 1-cyclohexylsulfanylcyclobutane-1-carboxylate
CID 58287574
1-methylsulfanylcyclopropane-1-carboxylic acid
CID 22102233
cyclohexylsulfanylformic acid
CID 57292109
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
2-cycloheptylsulfanylpropanoic acid
CID 82925938
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
cyclopentanecarboxylic acid
CID 18840
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
(1-cyclopentylsulfanylcyclopropyl)methanamine
CID 65139002

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid (CID 65141741) is 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid is O=C(O)C1(SC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid?
The InChIKey is UZWGGACMYJJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c10-8(11)9(5-6-9)12-7-3-1-2-4-7/h7H,1-6H2,(H,10,11).
What are the key properties of 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid?
1-cyclopentylsulfanylcyclopropane-1-carboxylic acid has a molecular weight of 186.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 65141741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).