2-cyclohexylsulfanyl-4-ethoxyaniline

C14H21NOS — CID 79526853

IUPAC2-cyclohexylsulfanyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(SC2CCCCC2)c1
InChIInChI=1S/C14H21NOS/c1-2-16-11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,2-7,15H2,1H3
InChIKeyYYIWYBJWXUGBMG-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.09
Rot. Bonds4

About 2-cyclohexylsulfanyl-4-ethoxyaniline

2-cyclohexylsulfanyl-4-ethoxyaniline (PubChem CID 79526853) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-ethoxyaniline.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-ethoxyaniline
PubChem CID79526853
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-cyclohexylsulfanyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(SC2CCCCC2)c1
InChIInChI=1S/C14H21NOS/c1-2-16-11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,2-7,15H2,1H3
InChIKeyYYIWYBJWXUGBMG-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminocyclopentyl)sulfanyl-4-ethoxyaniline
CID 80662520
2-cyclopentylsulfanyl-4-methoxyaniline
CID 79518058
2-(3,5-dimethylcyclohexyl)sulfanyl-4-ethoxyaniline
CID 79527602
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184
4-ethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylaniline
CID 114621555
4-ethoxy-2-(trifluoromethylsulfanyl)aniline
CID 79526639
4-methoxy-2-(oxan-4-ylsulfanyl)aniline
CID 79518481
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
5-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]pyrrolidin-2-one
CID 107530273
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-ethoxyaniline?
The IUPAC name of 2-cyclohexylsulfanyl-4-ethoxyaniline (CID 79526853) is 2-cyclohexylsulfanyl-4-ethoxyaniline.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-ethoxyaniline?
The canonical SMILES for 2-cyclohexylsulfanyl-4-ethoxyaniline is CCOc1ccc(N)c(SC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-ethoxyaniline?
The InChIKey is YYIWYBJWXUGBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-16-11-8-9-13(15)14(10-11)17-12-6-4-3-5-7-12/h8-10,12H,2-7,15H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-4-ethoxyaniline?
2-cyclohexylsulfanyl-4-ethoxyaniline has a molecular weight of 251.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-ethoxyaniline is sourced from PubChem (CID 79526853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).