1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol

C13H21N3O3S — CID 106837532

IUPAC1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
SMILESCNc1cccnc1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H21N3O3S/c1-10(17)11-5-8-16(9-6-11)20(18,19)13-12(14-2)4-3-7-15-13/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3
InChIKeyDPUMFMQKHZBKKM-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds4

About 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol

1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol (PubChem CID 106837532) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
PubChem CID106837532
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
SMILESCNc1cccnc1S(=O)(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H21N3O3S/c1-10(17)11-5-8-16(9-6-11)20(18,19)13-12(14-2)4-3-7-15-13/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3
InChIKeyDPUMFMQKHZBKKM-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

N-methyl-2-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 103303592
2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
CID 103305907
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
CID 103302994
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylpyridine-2-carbothioamide
CID 106835967
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
N-methyl-2-(2-methylmorpholin-4-yl)sulfonylpyridin-3-amine
CID 103303771
[2-(4-ethoxypiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103301047
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol (CID 106837532) is 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol is CNc1cccnc1S(=O)(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol?
The InChIKey is DPUMFMQKHZBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(17)11-5-8-16(9-6-11)20(18,19)13-12(14-2)4-3-7-15-13/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol?
1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol 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-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).