(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol

C11H17NO3S — CID 146209273

IUPAC(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
SMILESCc1ccc(S(=O)(=O)[C@@H](N)CCCO)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-10(7-5-9)16(14,15)11(12)3-2-8-13/h4-7,11,13H,2-3,8,12H2,1H3/t11-/m1/s1
InChIKeyJTKGCQFWFYLFMA-LLVKDONJSA-N
MW243.33 g/mol
LogP0.83
Rot. Bonds5

About (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol

(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol (PubChem CID 146209273) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
PubChem CID146209273
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
SMILESCc1ccc(S(=O)(=O)[C@@H](N)CCCO)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-10(7-5-9)16(14,15)11(12)3-2-8-13/h4-7,11,13H,2-3,8,12H2,1H3/t11-/m1/s1
InChIKeyJTKGCQFWFYLFMA-LLVKDONJSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonylhexane-1,6-diamine
CID 18353514
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
[(2S)-2,5-dihydroxypentyl] 4-methylbenzenesulfonate
CID 11403090
2-fluoro-2-(4-methylphenyl)sulfonylethanol
CID 115030535
1-[(2R)-heptan-2-yl]sulfonyl-4-methylbenzene
CID 132821411
1-amino-3-(4-methylphenyl)propane-1-sulfonic acid
CID 175464226
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
ethyl 3-(4-methylphenyl)sulfonylbutanoate
CID 54941265
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-[13-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]tridecyl]-4-methylbenzenesulfonamide
CID 19755985
2-amino-2-(4-chlorophenyl)sulfonylethanol
CID 117037336

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol?
The IUPAC name of (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol (CID 146209273) is (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol is Cc1ccc(S(=O)(=O)[C@@H](N)CCCO)cc1.
What is the InChIKey of (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol?
The InChIKey is JTKGCQFWFYLFMA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-6-10(7-5-9)16(14,15)11(12)3-2-8-13/h4-7,11,13H,2-3,8,12H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol?
(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol is sourced from PubChem (CID 146209273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).