[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol

C14H22N2O4S — CID 43662964

IUPAC[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13-4-3-12(15)9-14(13)21(18,19)16-7-5-11(10-17)6-8-16/h3-4,9,11,17H,2,5-8,10,15H2,1H3
InChIKeyINUZLWXGIZCFLD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds5

About [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol

[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43662964) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43662964
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13-4-3-12(15)9-14(13)21(18,19)16-7-5-11(10-17)6-8-16/h3-4,9,11,17H,2,5-8,10,15H2,1H3
InChIKeyINUZLWXGIZCFLD-UHFFFAOYSA-N
XLogP1.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol (CID 43662964) is [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol is CCOc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is INUZLWXGIZCFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-20-13-4-3-12(15)9-14(13)21(18,19)16-7-5-11(10-17)6-8-16/h3-4,9,11,17H,2,5-8,10,15H2,1H3.
What are the key properties of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 314.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43662964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).