1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol

C13H20N2O4S — CID 81096099

IUPAC1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-13(16)5-7-15(8-6-13)20(17,18)12-4-3-10(19-2)9-11(12)14/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyBYLIQEIUEJTQEP-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol

1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81096099) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81096099
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-13(16)5-7-15(8-6-13)20(17,18)12-4-3-10(19-2)9-11(12)14/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyBYLIQEIUEJTQEP-UHFFFAOYSA-N
XLogP0.81
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
CID 43592433
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 107343719
5-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392074
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
5-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407860
methyl 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzoate
CID 103355097
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81096099) is 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol is COc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is BYLIQEIUEJTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(16)5-7-15(8-6-13)20(17,18)12-4-3-10(19-2)9-11(12)14/h3-4,9,16H,5-8,14H2,1-2H3.
What are the key properties of 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 300.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).