[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

C14H22N2O3S — CID 43258860

IUPAC[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(15)11(2)14(10)20(18,19)16-7-5-12(9-17)6-8-16/h3-4,12,17H,5-9,15H2,1-2H3
InChIKeyJAMJYTKWBHWCLQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds3

About [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43258860) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43258860
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(15)11(2)14(10)20(18,19)16-7-5-12(9-17)6-8-16/h3-4,12,17H,5-9,15H2,1-2H3
InChIKeyJAMJYTKWBHWCLQ-UHFFFAOYSA-N
XLogP1.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
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

1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227
1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835223
2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43585004
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
2,4-dimethyl-3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 61139574
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2,4-dimethylaniline
CID 65319389
3-(1,3-dihydroisoindol-2-ylsulfonyl)-2,4-dimethylaniline
CID 62204818
[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590106
[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
CID 43258861
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (CID 43258860) is [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is JAMJYTKWBHWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-3-4-13(15)11(2)14(10)20(18,19)16-7-5-12(9-17)6-8-16/h3-4,12,17H,5-9,15H2,1-2H3.
What are the key properties of [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43258860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).