[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

C14H22N2O3S — CID 43133136

IUPAC[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(CO)CC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)8-14(11(10)2)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9,15H2,1-2H3
InChIKeyLMBAAIVNAUHCBZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds3

About [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol

[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43133136) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43133136
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(CO)CC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-13(15)8-14(11(10)2)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9,15H2,1-2H3
InChIKeyLMBAAIVNAUHCBZ-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'}

Analyze [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
3-(4-ethylpiperidin-1-yl)sulfonyl-5-fluoro-4-methylaniline
CID 79896386
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 79897067
3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 63157152
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol (CID 43133136) is [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is Cc1cc(N)cc(S(=O)(=O)N2CCC(CO)CC2)c1C.
What is the InChIKey of [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is LMBAAIVNAUHCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-13(15)8-14(11(10)2)20(18,19)16-5-3-12(9-17)4-6-16/h7-8,12,17H,3-6,9,15H2,1-2H3.
What are the key properties of [1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol?
[1-(5-amino-2,3-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-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43133136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).