1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol

C13H20N2O3S — CID 102956939

IUPAC1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1O
InChIInChI=1S/C13H20N2O3S/c1-10-6-7-15(9-13(10)16)19(17,18)12-4-2-11(8-14)3-5-12/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyRBILUCRCKYYVMZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.54
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol

1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol (PubChem CID 102956939) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
PubChem CID102956939
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1O
InChIInChI=1S/C13H20N2O3S/c1-10-6-7-15(9-13(10)16)19(17,18)12-4-2-11(8-14)3-5-12/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyRBILUCRCKYYVMZ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-[3-(3-aminoprop-1-ynyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102964104
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 103896772
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
2-[4-(3,4-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 115872304
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol (CID 102956939) is 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1O.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is RBILUCRCKYYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-6-7-15(9-13(10)16)19(17,18)12-4-2-11(8-14)3-5-12/h2-5,10,13,16H,6-9,14H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol?
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 284.38 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).