1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol

C13H21N3O3S — CID 62152207

IUPAC1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC(O)C2)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(17)10-16/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyXRPBAUITHUYYMR-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds5

About 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol

1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol (PubChem CID 62152207) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
PubChem CID62152207
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC(O)C2)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(17)10-16/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyXRPBAUITHUYYMR-UHFFFAOYSA-N
XLogP1.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-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

1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
1-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-3-ol
CID 61435671
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 63174751
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol?
The IUPAC name of 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol (CID 62152207) is 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol.
What is the SMILES notation for 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol?
The canonical SMILES for 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol is CCCNc1ccc(S(=O)(=O)N2CCCC(O)C2)cn1.
What is the InChIKey of 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol?
The InChIKey is XRPBAUITHUYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(17)10-16/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol?
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol has a molecular weight of 299.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol is sourced from PubChem (CID 62152207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).