4-methyl-2-octylsulfinylaniline

C15H25NOS — CID 81184058

IUPAC4-methyl-2-octylsulfinylaniline
SMILESCCCCCCCCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H25NOS/c1-3-4-5-6-7-8-11-18(17)15-12-13(2)9-10-14(15)16/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeySYVGKSFNLCSXEY-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.05
Rot. Bonds8

About 4-methyl-2-octylsulfinylaniline

4-methyl-2-octylsulfinylaniline (PubChem CID 81184058) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methyl-2-octylsulfinylaniline.

Molecular Properties

Compound Name4-methyl-2-octylsulfinylaniline
PubChem CID81184058
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-methyl-2-octylsulfinylaniline
SMILESCCCCCCCCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H25NOS/c1-3-4-5-6-7-8-11-18(17)15-12-13(2)9-10-14(15)16/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeySYVGKSFNLCSXEY-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
CID 107707411
4-fluoro-2-nonylsulfinylaniline
CID 81182991
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CID 81183128
4-methyl-3-nonylsulfinylaniline
CID 81191018
5-chloro-2-heptylsulfinylaniline
CID 81175948
5-bromo-2-hexylsulfinylaniline
CID 81185932
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
2-methyl-6-octylsulfinylaniline
CID 81187755
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82891689
4-methyl-2-(2,2,2-trifluoroethylsulfinyl)aniline
CID 81182795
2-hexylsulfinyl-5-(trifluoromethyl)aniline
CID 81175172

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-octylsulfinylaniline?
The IUPAC name of 4-methyl-2-octylsulfinylaniline (CID 81184058) is 4-methyl-2-octylsulfinylaniline.
What is the SMILES notation for 4-methyl-2-octylsulfinylaniline?
The canonical SMILES for 4-methyl-2-octylsulfinylaniline is CCCCCCCCS(=O)c1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-octylsulfinylaniline?
The InChIKey is SYVGKSFNLCSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-4-5-6-7-8-11-18(17)15-12-13(2)9-10-14(15)16/h9-10,12H,3-8,11,16H2,1-2H3.
What are the key properties of 4-methyl-2-octylsulfinylaniline?
4-methyl-2-octylsulfinylaniline has a molecular weight of 267.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-octylsulfinylaniline is sourced from PubChem (CID 81184058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).