2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide

C12H19N3O3S — CID 112675007

IUPAC2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1(O)CCN(c2cccc(S(N)(=O)=O)c2N)CC1
InChIInChI=1S/C12H19N3O3S/c1-12(16)5-7-15(8-6-12)9-3-2-4-10(11(9)13)19(14,17)18/h2-4,16H,5-8,13H2,1H3,(H2,14,17,18)
InChIKeyMUBBFQAODIZVBC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.27
Rot. Bonds2

About 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide

2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 112675007) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID112675007
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1(O)CCN(c2cccc(S(N)(=O)=O)c2N)CC1
InChIInChI=1S/C12H19N3O3S/c1-12(16)5-7-15(8-6-12)9-3-2-4-10(11(9)13)19(14,17)18/h2-4,16H,5-8,13H2,1H3,(H2,14,17,18)
InChIKeyMUBBFQAODIZVBC-UHFFFAOYSA-N
XLogP0.27
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 112674926
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
CID 115992384
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)benzenesulfonamide
CID 112674981
4-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 80703033
1-(2-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 113392760
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
CID 104957789
2-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)benzenesulfonamide
CID 115992229
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
CID 55166923
2-methylsulfonyl-6-piperazin-1-ylaniline
CID 82002872

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide (CID 112675007) is 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide is CC1(O)CCN(c2cccc(S(N)(=O)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is MUBBFQAODIZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(16)5-7-15(8-6-12)9-3-2-4-10(11(9)13)19(14,17)18/h2-4,16H,5-8,13H2,1H3,(H2,14,17,18).
What are the key properties of 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide?
2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 112675007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).