2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid

C11H20O2S — CID 107760861

IUPAC2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CCSC1CCCC1C(=O)O
InChIInChI=1S/C11H20O2S/c1-8(2)6-7-14-10-5-3-4-9(10)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKRKDMIKBMWGYOQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid

2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid (PubChem CID 107760861) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
PubChem CID107760861
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CCSC1CCCC1C(=O)O
InChIInChI=1S/C11H20O2S/c1-8(2)6-7-14-10-5-3-4-9(10)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKRKDMIKBMWGYOQ-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(3-methylbutylsulfanyl)cyclohexane-1-carboxylic acid
CID 107760845
2-pentylsulfanylcyclopentane-1-carboxylic acid
CID 107760766
2-(3-methylbutylsulfanyl)cyclohexan-1-ol
CID 107751872
2-butan-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 63100313
2-(3-methylbutan-2-ylsulfanyl)cycloheptane-1-carboxylic acid
CID 107760783
2-benzylsulfanylcyclopentane-1-carboxylic acid
CID 56618093
2-methylsulfanylcycloheptane-1-carboxylic acid
CID 63098267
2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342477
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
4-methyl-2-(2-methylpropylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098596
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid (CID 107760861) is 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid is CC(C)CCSC1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid?
The InChIKey is KRKDMIKBMWGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-8(2)6-7-14-10-5-3-4-9(10)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid?
2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid has a molecular weight of 216.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107760861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).