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

C13H21N3O3S — CID 81108237

IUPAC1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
SMILESCCNc1ncccc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-14-12-11(5-4-8-15-12)20(18,19)16-9-6-13(2,17)7-10-16/h4-5,8,17H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyWQLCZNABJHYWPP-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds4

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

1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol (PubChem CID 81108237) 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-4-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
PubChem CID81108237
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
SMILESCCNc1ncccc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-14-12-11(5-4-8-15-12)20(18,19)16-9-6-13(2,17)7-10-16/h4-5,8,17H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyWQLCZNABJHYWPP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 63161871
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108857
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
CID 103306620
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol (CID 81108237) is 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol is CCNc1ncccc1S(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The InChIKey is WQLCZNABJHYWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-14-12-11(5-4-8-15-12)20(18,19)16-9-6-13(2,17)7-10-16/h4-5,8,17H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol has a molecular weight of 299.40 g/mol, XLogP of 1.05, 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-4-ol is sourced from PubChem (CID 81108237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).