[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol

C13H20N2O3S — CID 43590106

IUPAC[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cccc(N)c1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H20N2O3S/c1-10-4-2-6-12(14)13(10)19(17,18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9,14H2,1H3
InChIKeyAXUCLGLZWMAJLG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.97
Rot. Bonds3

About [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol

[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43590106) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43590106
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cccc(N)c1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H20N2O3S/c1-10-4-2-6-12(14)13(10)19(17,18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9,14H2,1H3
InChIKeyAXUCLGLZWMAJLG-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.97
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

(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-3-methylaniline
CID 115558739
2-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-methylaniline
CID 63604384
1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168134
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
3-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166006
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol (CID 43590106) is [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol is Cc1cccc(N)c1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is AXUCLGLZWMAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-4-2-6-12(14)13(10)19(17,18)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9,14H2,1H3.
What are the key properties of [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43590106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).