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

C14H22N2O3S — CID 43590112

IUPAC[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cc(N)c(S(=O)(=O)N2CCCC(CO)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-6-13(15)14(7-11(10)2)20(18,19)16-5-3-4-12(8-16)9-17/h6-7,12,17H,3-5,8-9,15H2,1-2H3
InChIKeyNTWGRAFEHWMFAE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds3

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

[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43590112) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43590112
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCc1cc(N)c(S(=O)(=O)N2CCCC(CO)C2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-6-13(15)14(7-11(10)2)20(18,19)16-5-3-4-12(8-16)9-17/h6-7,12,17H,3-5,8-9,15H2,1-2H3
InChIKeyNTWGRAFEHWMFAE-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

2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590106
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol (CID 43590112) is [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol is Cc1cc(N)c(S(=O)(=O)N2CCCC(CO)C2)cc1C.
What is the InChIKey of [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is NTWGRAFEHWMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-13(15)14(7-11(10)2)20(18,19)16-5-3-4-12(8-16)9-17/h6-7,12,17H,3-5,8-9,15H2,1-2H3.
What are the key properties of [1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-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-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43590112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).