2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline

C13H20N2OS — CID 80662520

IUPAC2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(SC2CCCC2N)c1
InChIInChI=1S/C13H20N2OS/c1-2-16-9-6-7-11(15)13(8-9)17-12-5-3-4-10(12)14/h6-8,10,12H,2-5,14-15H2,1H3
InChIKeyHUKKALOFSXNBDH-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline

2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline (PubChem CID 80662520) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline.

Molecular Properties

Compound Name2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline
PubChem CID80662520
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(SC2CCCC2N)c1
InChIInChI=1S/C13H20N2OS/c1-2-16-9-6-7-11(15)13(8-9)17-12-5-3-4-10(12)14/h6-8,10,12H,2-5,14-15H2,1H3
InChIKeyHUKKALOFSXNBDH-UHFFFAOYSA-N
XLogP2.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylsulfanyl-4-ethoxyaniline
CID 79526853
2-(3,5-dimethylcyclohexyl)sulfanyl-4-ethoxyaniline
CID 79527602
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
4-ethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylaniline
CID 114621555
2-cyclopentylsulfanyl-4-methoxyaniline
CID 79518058
4-ethoxy-2-(trifluoromethylsulfanyl)aniline
CID 79526639
5-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]pyrrolidin-2-one
CID 107530273
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
4-ethoxy-2-(2,2,2-trifluoroethoxymethylsulfanyl)aniline
CID 106705107
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline?
The IUPAC name of 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline (CID 80662520) is 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline.
What is the SMILES notation for 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline?
The canonical SMILES for 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline is CCOc1ccc(N)c(SC2CCCC2N)c1.
What is the InChIKey of 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline?
The InChIKey is HUKKALOFSXNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-16-9-6-7-11(15)13(8-9)17-12-5-3-4-10(12)14/h6-8,10,12H,2-5,14-15H2,1H3.
What are the key properties of 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline?
2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline has a molecular weight of 252.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline is sourced from PubChem (CID 80662520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).