4-[(4-methoxyphenyl)methylsulfinyl]aniline

C14H15NO2S — CID 61368872

IUPAC4-[(4-methoxyphenyl)methylsulfinyl]aniline
SMILESCOc1ccc(CS(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-13-6-2-11(3-7-13)10-18(16)14-8-4-12(15)5-9-14/h2-9H,10,15H2,1H3
InChIKeyYMXHRIQIRBZHHO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylsulfinyl]aniline

4-[(4-methoxyphenyl)methylsulfinyl]aniline (PubChem CID 61368872) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfinyl]aniline
PubChem CID61368872
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[(4-methoxyphenyl)methylsulfinyl]aniline
SMILESCOc1ccc(CS(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-13-6-2-11(3-7-13)10-18(16)14-8-4-12(15)5-9-14/h2-9H,10,15H2,1H3
InChIKeyYMXHRIQIRBZHHO-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
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

1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
4-[(4-iodophenyl)methylsulfinyl]aniline
CID 65478340
4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304
potassium [4-[(4-methoxyphenyl)methylsulfinyl]phenyl]methanesulfonate
CID 102506538
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306
2-[(4-methoxyphenyl)methylsulfinyl]-1,3-benzoxazol-5-amine
CID 61368276
2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
CID 81186594
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
ethane;4-methoxyaniline
CID 144603339

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfinyl]aniline?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfinyl]aniline (CID 61368872) is 4-[(4-methoxyphenyl)methylsulfinyl]aniline.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfinyl]aniline?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfinyl]aniline is COc1ccc(CS(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfinyl]aniline?
The InChIKey is YMXHRIQIRBZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-13-6-2-11(3-7-13)10-18(16)14-8-4-12(15)5-9-14/h2-9H,10,15H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methylsulfinyl]aniline?
4-[(4-methoxyphenyl)methylsulfinyl]aniline has a molecular weight of 261.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfinyl]aniline is sourced from PubChem (CID 61368872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).