1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol

C11H16N2O4S — CID 29052125

IUPAC1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1O
InChIInChI=1S/C11H16N2O4S/c12-10-7-9(1-2-11(10)15)18(16,17)13-5-3-8(14)4-6-13/h1-2,7-8,14-15H,3-6,12H2
InChIKeyXMKMDXYFNZSZGA-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.12
Rot. Bonds2

About 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol

1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol (PubChem CID 29052125) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
PubChem CID29052125
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1O
InChIInChI=1S/C11H16N2O4S/c12-10-7-9(1-2-11(10)15)18(16,17)13-5-3-8(14)4-6-13/h1-2,7-8,14-15H,3-6,12H2
InChIKeyXMKMDXYFNZSZGA-UHFFFAOYSA-N
XLogP0.12
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
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-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
CID 43585652
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenol
CID 103530304
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
1-(2-aminoquinolin-6-yl)sulfonylpiperidin-4-ol
CID 62143522
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 79674690
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
2-amino-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenol
CID 114489353
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol (CID 29052125) is 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol is Nc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1O.
What is the InChIKey of 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol?
The InChIKey is XMKMDXYFNZSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-10-7-9(1-2-11(10)15)18(16,17)13-5-3-8(14)4-6-13/h1-2,7-8,14-15H,3-6,12H2.
What are the key properties of 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol?
1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol has a molecular weight of 272.33 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 29052125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).