1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol

C13H20N2O3S — CID 43257227

IUPAC1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(17,18)15-7-5-11(16)6-8-15/h3-4,11,16H,5-8,14H2,1-2H3
InChIKeyFVVHKPWAIDPAHG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds2

About 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol

1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol (PubChem CID 43257227) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
PubChem CID43257227
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(17,18)15-7-5-11(16)6-8-15/h3-4,11,16H,5-8,14H2,1-2H3
InChIKeyFVVHKPWAIDPAHG-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
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-yl]methanol
CID 43258860
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
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
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
2,4-dimethyl-3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 61139574
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106504815

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol (CID 43257227) is 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is FVVHKPWAIDPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(17,18)15-7-5-11(16)6-8-15/h3-4,11,16H,5-8,14H2,1-2H3.
What are the key properties of 1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol?
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 284.38 g/mol, XLogP of 1.03, 2 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-ol is sourced from PubChem (CID 43257227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).