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

C14H22N2O3S — CID 43256754

IUPAC[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-12-3-4-13(15)9-14(12)20(18,19)16-7-5-11(10-17)6-8-16/h3-4,9,11,17H,2,5-8,10,15H2,1H3
InChIKeyRNPKEQGPRSEUEK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.22
Rot. Bonds4

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

[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43256754) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43256754
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-12-3-4-13(15)9-14(12)20(18,19)16-7-5-11(10-17)6-8-16/h3-4,9,11,17H,2,5-8,10,15H2,1H3
InChIKeyRNPKEQGPRSEUEK-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
3-(azepan-1-ylsulfonyl)-4-ethylaniline
CID 43255737
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol (CID 43256754) is [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol is CCc1ccc(N)cc1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is RNPKEQGPRSEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-12-3-4-13(15)9-14(12)20(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-ethylphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).