ethyl 2-amino-5-cyclopentylsulfanylbenzoate

C14H19NO2S — CID 63115514

IUPACethyl 2-amino-5-cyclopentylsulfanylbenzoate
SMILESCCOC(=O)c1cc(SC2CCCC2)ccc1N
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)12-9-11(7-8-13(12)15)18-10-5-3-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeySKEJDHAEVNZADN-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.48
Rot. Bonds4

About ethyl 2-amino-5-cyclopentylsulfanylbenzoate

ethyl 2-amino-5-cyclopentylsulfanylbenzoate (PubChem CID 63115514) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is ethyl 2-amino-5-cyclopentylsulfanylbenzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-cyclopentylsulfanylbenzoate
PubChem CID63115514
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-amino-5-cyclopentylsulfanylbenzoate
SMILESCCOC(=O)c1cc(SC2CCCC2)ccc1N
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)12-9-11(7-8-13(12)15)18-10-5-3-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeySKEJDHAEVNZADN-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-cyclohexylsulfanylbenzamide
CID 55136321
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184
ethyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 113333459
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 2-amino-5-(3,4-difluorophenyl)sulfanylbenzoate
CID 63423696
ethyl 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]benzoate
CID 104968336
ethyl 2-amino-5-[(2-ethylcyclohexyl)amino]benzoate
CID 63423479
ethyl 2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925455
ethyl 2-amino-5-pyrazin-2-ylsulfanylbenzoate
CID 63424120
4-cyclopentylsulfanyl-2-propan-2-yloxyaniline
CID 83001850
ethyl 4-(4-cyclohexylsulfanylphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-cyclopentylsulfanylbenzoate?
The IUPAC name of ethyl 2-amino-5-cyclopentylsulfanylbenzoate (CID 63115514) is ethyl 2-amino-5-cyclopentylsulfanylbenzoate.
What is the SMILES notation for ethyl 2-amino-5-cyclopentylsulfanylbenzoate?
The canonical SMILES for ethyl 2-amino-5-cyclopentylsulfanylbenzoate is CCOC(=O)c1cc(SC2CCCC2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-cyclopentylsulfanylbenzoate?
The InChIKey is SKEJDHAEVNZADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-17-14(16)12-9-11(7-8-13(12)15)18-10-5-3-4-6-10/h7-10H,2-6,15H2,1H3.
What are the key properties of ethyl 2-amino-5-cyclopentylsulfanylbenzoate?
ethyl 2-amino-5-cyclopentylsulfanylbenzoate has a molecular weight of 265.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-cyclopentylsulfanylbenzoate is sourced from PubChem (CID 63115514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).