3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol

C14H22N2O3S — CID 114679139

IUPAC3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
SMILESCNCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-10-16(8-7-14(11)17)20(18,19)13-5-3-12(4-6-13)9-15-2/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyGSXUJQVYJPEFTR-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.80
Rot. Bonds4

About 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol

3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 114679139) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID114679139
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
SMILESCNCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-10-16(8-7-14(11)17)20(18,19)13-5-3-12(4-6-13)9-15-2/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyGSXUJQVYJPEFTR-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 60822203
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 114681627
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
2-[4-(3,4-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 115872304
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol (CID 114679139) is 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol is CNCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1.
What is the InChIKey of 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is GSXUJQVYJPEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-10-16(8-7-14(11)17)20(18,19)13-5-3-12(4-6-13)9-15-2/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol?
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 298.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 114679139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).