1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol

C13H21N3O3S — CID 62153093

IUPAC1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1cc(S(=O)(=O)N2CCCC(O)C2)ccn1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13-9-12(5-7-15-13)20(18,19)16-8-3-4-11(17)10-16/h5,7,9,11,17H,2-4,6,8,10H2,1H3,(H,14,15)
InChIKeyKXOKCPKWBFURKR-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds5

About 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol

1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol (PubChem CID 62153093) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
PubChem CID62153093
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
SMILESCCCNc1cc(S(=O)(=O)N2CCCC(O)C2)ccn1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13-9-12(5-7-15-13)20(18,19)16-8-3-4-11(17)10-16/h5,7,9,11,17H,2-4,6,8,10H2,1H3,(H,14,15)
InChIKeyKXOKCPKWBFURKR-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

1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
4-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66061656
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
3-[(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 122048163
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
CID 166824771
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol?
The IUPAC name of 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol (CID 62153093) is 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol is CCCNc1cc(S(=O)(=O)N2CCCC(O)C2)ccn1.
What is the InChIKey of 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol?
The InChIKey is KXOKCPKWBFURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-6-14-13-9-12(5-7-15-13)20(18,19)16-8-3-4-11(17)10-16/h5,7,9,11,17H,2-4,6,8,10H2,1H3,(H,14,15).
What are the key properties of 1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol?
1-[[2-(propylamino)-4-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-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol is sourced from PubChem (CID 62153093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).