1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol

C13H21N3O3S — CID 103305498

IUPAC1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1cccnc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-12-6-3-8-15-13(12)20(18,19)16-9-4-5-11(17)10-16/h3,6,8,11,14,17H,2,4-5,7,9-10H2,1H3
InChIKeyITJXYVVMVZCQKJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds5

About 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol

1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol (PubChem CID 103305498) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
PubChem CID103305498
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1cccnc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-12-6-3-8-15-13(12)20(18,19)16-9-4-5-11(17)10-16/h3,6,8,11,14,17H,2,4-5,7,9-10H2,1H3
InChIKeyITJXYVVMVZCQKJ-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

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Related Compounds

2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103305844
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
CID 103307678
4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
CID 103306620
1-[(3-hydrazinyl-2-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103301477
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
CID 103304816
2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103306947

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol (CID 103305498) is 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol is CCCNc1cccnc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol?
The InChIKey is ITJXYVVMVZCQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-7-14-12-6-3-8-15-13(12)20(18,19)16-9-4-5-11(17)10-16/h3,6,8,11,14,17H,2,4-5,7,9-10H2,1H3.
What are the key properties of 1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol?
1-[[3-(propylamino)-2-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-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol is sourced from PubChem (CID 103305498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).