6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol

C13H21NO2S — CID 107707411

IUPAC6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
SMILESCc1ccc(N)c(S(=O)CCCCCCO)c1
InChIInChI=1S/C13H21NO2S/c1-11-6-7-12(14)13(10-11)17(16)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyVGDAJHZCSSHBOV-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.24
Rot. Bonds7

About 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol

6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol (PubChem CID 107707411) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol.

Molecular Properties

Compound Name6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
PubChem CID107707411
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
SMILESCc1ccc(N)c(S(=O)CCCCCCO)c1
InChIInChI=1S/C13H21NO2S/c1-11-6-7-12(14)13(10-11)17(16)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyVGDAJHZCSSHBOV-UHFFFAOYSA-N
XLogP2.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-2-octylsulfinylaniline
CID 81184058
2-[2-(diethylamino)ethylsulfinyl]-4-methylaniline
CID 81183128
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]aniline
CID 82891689
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
4-methyl-2-(2,2,2-trifluoroethylsulfinyl)aniline
CID 81182795
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
4-fluoro-2-nonylsulfinylaniline
CID 81182991
6-[2-amino-4-(trifluoromethyl)phenyl]sulfinylhexan-1-ol
CID 107707391
2-(cyclopropylmethylsulfinyl)-4-methylaniline
CID 81183554
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
2-[(5-fluoro-2-methylphenyl)methylsulfinyl]-4-methylaniline
CID 105376353

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol?
The IUPAC name of 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol (CID 107707411) is 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol.
What is the SMILES notation for 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol?
The canonical SMILES for 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol is Cc1ccc(N)c(S(=O)CCCCCCO)c1.
What is the InChIKey of 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol?
The InChIKey is VGDAJHZCSSHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11-6-7-12(14)13(10-11)17(16)9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3.
What are the key properties of 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol?
6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol is sourced from PubChem (CID 107707411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).