3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid

C12H21NO2S — CID 79654044

IUPAC3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(SC2CCCC2)C1
InChIInChI=1S/C12H21NO2S/c1-13-12(11(14)15)7-6-10(8-12)16-9-4-2-3-5-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCDMQXQBCWLDIJU-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.26
Rot. Bonds4

About 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid

3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79654044) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79654044
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(SC2CCCC2)C1
InChIInChI=1S/C12H21NO2S/c1-13-12(11(14)15)7-6-10(8-12)16-9-4-2-3-5-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCDMQXQBCWLDIJU-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
1-(methylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
CID 107756199
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79656085
3-(3-methylcyclohexyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634839
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 79648508
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79635775

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79654044) is 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(SC2CCCC2)C1.
What is the InChIKey of 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CDMQXQBCWLDIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-13-12(11(14)15)7-6-10(8-12)16-9-4-2-3-5-9/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid?
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 243.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).