2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid

C14H19NO2S — CID 114121676

IUPAC2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
SMILESCCSC1CCCC1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2S/c1-2-18-13-9-5-8-12(13)15-11-7-4-3-6-10(11)14(16)17/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyXSBYAPNETUQKIX-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.47
Rot. Bonds5

About 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid

2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid (PubChem CID 114121676) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
PubChem CID114121676
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
SMILESCCSC1CCCC1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2S/c1-2-18-13-9-5-8-12(13)15-11-7-4-3-6-10(11)14(16)17/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyXSBYAPNETUQKIX-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
CID 124681039
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
2-(cyclohex-2-en-1-ylamino)benzoic acid
CID 56648257
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
CID 79544346
2-[2-[(2-methylsulfanylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 103932697
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid (CID 114121676) is 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid is CCSC1CCCC1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid?
The InChIKey is XSBYAPNETUQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-18-13-9-5-8-12(13)15-11-7-4-3-6-10(11)14(16)17/h3-4,6-7,12-13,15H,2,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid?
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid has a molecular weight of 265.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 114121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).