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

C13H21N3O3S — CID 102964473

IUPAC1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
SMILESCCNc1ncccc1S(=O)(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C13H21N3O3S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-8-6-10(2)11(17)9-16/h4-5,7,10-11,17H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyHUQQOYNAQBNCKC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds4

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

1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol (PubChem CID 102964473) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
PubChem CID102964473
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
SMILESCCNc1ncccc1S(=O)(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C13H21N3O3S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-8-6-10(2)11(17)9-16/h4-5,7,10-11,17H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyHUQQOYNAQBNCKC-UHFFFAOYSA-N
XLogP0.90
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973
N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine
CID 63539689

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol (CID 102964473) is 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol is CCNc1ncccc1S(=O)(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol?
The InChIKey is HUQQOYNAQBNCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-8-6-10(2)11(17)9-16/h4-5,7,10-11,17H,3,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol?
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol has a molecular weight of 299.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102964473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).