1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol

C12H19N3O3S — CID 106594973

IUPAC1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cccnc2CN)CCC1O
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(6-4-11(9)16)19(17,18)12-3-2-5-14-10(12)7-13/h2-3,5,9,11,16H,4,6-8,13H2,1H3
InChIKeyMVDVQHQROLKUBG-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds3

About 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol

1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol (PubChem CID 106594973) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
PubChem CID106594973
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cccnc2CN)CCC1O
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(6-4-11(9)16)19(17,18)12-3-2-5-14-10(12)7-13/h2-3,5,9,11,16H,4,6-8,13H2,1H3
InChIKeyMVDVQHQROLKUBG-UHFFFAOYSA-N
XLogP-0.07
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
CID 106594989
(3-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 106593652
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
1-[4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 106594245
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 106593628
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-5-one
CID 106594478
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79188499
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol (CID 106594973) is 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)c2cccnc2CN)CCC1O.
What is the InChIKey of 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The InChIKey is MVDVQHQROLKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-8-15(6-4-11(9)16)19(17,18)12-3-2-5-14-10(12)7-13/h2-3,5,9,11,16H,4,6-8,13H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol has a molecular weight of 285.37 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 106594973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).