[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol

C14H22N2O4S — CID 43663013

IUPAC[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,2-4,7,9-10,15H2,1H3
InChIKeyDMMYNOKDZMRAGO-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds5

About [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol

[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43663013) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43663013
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,2-4,7,9-10,15H2,1H3
InChIKeyDMMYNOKDZMRAGO-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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Related Compounds

[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 9003807
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol (CID 43663013) is [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol is CCOc1ccc(N)cc1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is DMMYNOKDZMRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,2-4,7,9-10,15H2,1H3.
What are the key properties of [1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-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-3-yl]methanol is sourced from PubChem (CID 43663013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).