2-(2-phenylethylsulfinyl)aniline

C14H15NOS — CID 61367281

IUPAC2-(2-phenylethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CCc1ccccc1
InChIInChI=1S/C14H15NOS/c15-13-8-4-5-9-14(13)17(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
InChIKeyGBEMZSSLYBVJBL-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-phenylethylsulfinyl)aniline

2-(2-phenylethylsulfinyl)aniline (PubChem CID 61367281) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(2-phenylethylsulfinyl)aniline.

Molecular Properties

Compound Name2-(2-phenylethylsulfinyl)aniline
PubChem CID61367281
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(2-phenylethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CCc1ccccc1
InChIInChI=1S/C14H15NOS/c15-13-8-4-5-9-14(13)17(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
InChIKeyGBEMZSSLYBVJBL-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-phenylethylsulfinyl)aniline
CID 81185390
1-methylsulfonyl-2-[(R)-2-phenylethylsulfinyl]benzene
CID 97222863
4-bromo-2-(3-phenylpropylsulfinyl)aniline
CID 81206670
2-(4-methylpentylsulfinyl)aniline
CID 83161086
2-methyl-4-(2-phenylethylsulfinyl)aniline
CID 81182411
3-(2-phenylethylsulfinyl)aniline
CID 81180374
2-[2-(2-bromophenyl)sulfinylethyl]aniline
CID 55079394
4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
CID 14025349
1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
sodium 2-phenylethanesulfinate
CID 23702947
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]aniline
CID 61366901

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfinyl)aniline?
The IUPAC name of 2-(2-phenylethylsulfinyl)aniline (CID 61367281) is 2-(2-phenylethylsulfinyl)aniline.
What is the SMILES notation for 2-(2-phenylethylsulfinyl)aniline?
The canonical SMILES for 2-(2-phenylethylsulfinyl)aniline is Nc1ccccc1S(=O)CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfinyl)aniline?
The InChIKey is GBEMZSSLYBVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-13-8-4-5-9-14(13)17(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2.
What are the key properties of 2-(2-phenylethylsulfinyl)aniline?
2-(2-phenylethylsulfinyl)aniline has a molecular weight of 245.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfinyl)aniline is sourced from PubChem (CID 61367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).