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

C14H22N2O3S — CID 106996722

IUPAC[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-11-8-12(9-15)5-6-14(11)20(18,19)16-7-3-2-4-13(16)10-17/h5-6,8,13,17H,2-4,7,9-10,15H2,1H3
InChIKeyULQKOYFMMOODSN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.99
Rot. Bonds4

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

[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol (PubChem CID 106996722) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
PubChem CID106996722
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-11-8-12(9-15)5-6-14(11)20(18,19)16-7-3-2-4-13(16)10-17/h5-6,8,13,17H,2-4,7,9-10,15H2,1H3
InChIKeyULQKOYFMMOODSN-UHFFFAOYSA-N
XLogP0.99
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103833725
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 63397490
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol (CID 106996722) is [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol is Cc1cc(CN)ccc1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol?
The InChIKey is ULQKOYFMMOODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-12(9-15)5-6-14(11)20(18,19)16-7-3-2-4-13(16)10-17/h5-6,8,13,17H,2-4,7,9-10,15H2,1H3.
What are the key properties of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol?
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 106996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).