2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol

C13H21N3O3S — CID 43585652

IUPAC2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-15(2)10-5-7-16(8-6-10)20(18,19)11-3-4-13(17)12(14)9-11/h3-4,9-10,17H,5-8,14H2,1-2H3
InChIKeyUOOKVMSNRQOXHF-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol

2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol (PubChem CID 43585652) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
PubChem CID43585652
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-15(2)10-5-7-16(8-6-10)20(18,19)11-3-4-13(17)12(14)9-11/h3-4,9-10,17H,5-8,14H2,1-2H3
InChIKeyUOOKVMSNRQOXHF-UHFFFAOYSA-N
XLogP0.69
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
CID 29052125
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenol
CID 103530304
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
2-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylphenol
CID 62885207
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
2-amino-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenol
CID 114489353
5-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonyl-2-fluoroaniline
CID 61140049
methyl 3-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzoate
CID 47034018
1-(4-amino-2,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 79568579

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol?
The IUPAC name of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol (CID 43585652) is 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol is CN(C)C1CCN(S(=O)(=O)c2ccc(O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol?
The InChIKey is UOOKVMSNRQOXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15(2)10-5-7-16(8-6-10)20(18,19)11-3-4-13(17)12(14)9-11/h3-4,9-10,17H,5-8,14H2,1-2H3.
What are the key properties of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol?
2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol has a molecular weight of 299.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol is sourced from PubChem (CID 43585652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).