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

C13H20N2O3S — CID 43258868

IUPAC[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(N)ccc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(14)2-3-13(10)19(17,18)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9,14H2,1H3
InChIKeyKFNQABXMGXNAJS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.97
Rot. Bonds3

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

[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43258868) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43258868
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(N)ccc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(14)2-3-13(10)19(17,18)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9,14H2,1H3
InChIKeyKFNQABXMGXNAJS-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

[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754
2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501290
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61126173
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol (CID 43258868) is [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol is Cc1cc(N)ccc1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is KFNQABXMGXNAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-12(14)2-3-13(10)19(17,18)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9,14H2,1H3.
What are the key properties of [1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-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-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).