1-(sulfanylmethyl)cyclopentane-1-carboxylic acid

C7H12O2S — CID 123782340

IUPAC1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CS)CCCC1
InChIInChI=1S/C7H12O2S/c8-6(9)7(5-10)3-1-2-4-7/h10H,1-5H2,(H,8,9)
InChIKeyJZQPTMJEFVAQAQ-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.56
Rot. Bonds2

About 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid

1-(sulfanylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 123782340) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
PubChem CID123782340
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CS)CCCC1
InChIInChI=1S/C7H12O2S/c8-6(9)7(5-10)3-1-2-4-7/h10H,1-5H2,(H,8,9)
InChIKeyJZQPTMJEFVAQAQ-UHFFFAOYSA-N
XLogP1.56
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
CID 79425246
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971

Frequently Asked Questions

What is the IUPAC name of 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid (CID 123782340) is 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(CS)CCCC1.
What is the InChIKey of 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is JZQPTMJEFVAQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c8-6(9)7(5-10)3-1-2-4-7/h10H,1-5H2,(H,8,9).
What are the key properties of 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid?
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 160.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfanylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123782340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).