4-(2-aminobutylsulfinylmethyl)phenol

C11H17NO2S — CID 81189386

IUPAC4-(2-aminobutylsulfinylmethyl)phenol
SMILESCCC(N)CS(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-10(12)8-15(14)7-9-3-5-11(13)6-4-9/h3-6,10,13H,2,7-8,12H2,1H3
InChIKeyWTYCCTRFKDADFM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.38
Rot. Bonds5

About 4-(2-aminobutylsulfinylmethyl)phenol

4-(2-aminobutylsulfinylmethyl)phenol (PubChem CID 81189386) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(2-aminobutylsulfinylmethyl)phenol.

Molecular Properties

Compound Name4-(2-aminobutylsulfinylmethyl)phenol
PubChem CID81189386
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(2-aminobutylsulfinylmethyl)phenol
SMILESCCC(N)CS(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-10(12)8-15(14)7-9-3-5-11(13)6-4-9/h3-6,10,13H,2,7-8,12H2,1H3
InChIKeyWTYCCTRFKDADFM-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-iodophenyl)methylsulfinyl]butan-2-amine
CID 81189506
1-[(4-nitrophenyl)methylsulfinyl]butan-2-amine
CID 81189509
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine
CID 81188225
2-(2-aminobutylsulfinylmethyl)benzonitrile
CID 81189156
6-benzylsulfinylhexan-3-amine
CID 106807939
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 131858350
1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
CID 81193448
2-(2-aminobutylsulfinyl)-N-phenylacetamide
CID 81193786
ethyl 3-[(4-chlorophenyl)methylsulfinyl]-2-methylpropanoate
CID 114790866
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methylsulfinylmethane
CID 70446707
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutylsulfinylmethyl)phenol?
The IUPAC name of 4-(2-aminobutylsulfinylmethyl)phenol (CID 81189386) is 4-(2-aminobutylsulfinylmethyl)phenol.
What is the SMILES notation for 4-(2-aminobutylsulfinylmethyl)phenol?
The canonical SMILES for 4-(2-aminobutylsulfinylmethyl)phenol is CCC(N)CS(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminobutylsulfinylmethyl)phenol?
The InChIKey is WTYCCTRFKDADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-10(12)8-15(14)7-9-3-5-11(13)6-4-9/h3-6,10,13H,2,7-8,12H2,1H3.
What are the key properties of 4-(2-aminobutylsulfinylmethyl)phenol?
4-(2-aminobutylsulfinylmethyl)phenol has a molecular weight of 227.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutylsulfinylmethyl)phenol is sourced from PubChem (CID 81189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).