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

C13H23NO2S — CID 79653885

IUPAC3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(SC2CCCC2)C1
InChIInChI=1S/C13H23NO2S/c1-2-14-13(12(15)16)8-7-11(9-13)17-10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyANKWOKJOPYFCGR-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.65
Rot. Bonds5

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

3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79653885) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79653885
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(SC2CCCC2)C1
InChIInChI=1S/C13H23NO2S/c1-2-14-13(12(15)16)8-7-11(9-13)17-10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyANKWOKJOPYFCGR-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
1-(ethylamino)-3-[2-(ethylamino)-2-oxoethyl]sulfanylcyclohexane-1-carboxylic acid
CID 114234386
1-(ethylamino)-3-(2-methyloxolan-3-yl)sulfanylcyclohexane-1-carboxylic acid
CID 107755289
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79655921
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
1-(ethylamino)-3-(3-methoxypropylsulfanyl)cyclopentane-1-carboxylic acid
CID 79656319

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79653885) is 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(SC2CCCC2)C1.
What is the InChIKey of 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ANKWOKJOPYFCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-14-13(12(15)16)8-7-11(9-13)17-10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 257.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79653885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).