[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol

C12H19N3O3S — CID 62157239

IUPAC[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCCNc1ncccc1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C12H19N3O3S/c1-2-13-12-11(6-3-7-14-12)19(17,18)15-8-4-5-10(15)9-16/h3,6-7,10,16H,2,4-5,8-9H2,1H3,(H,13,14)
InChIKeyWWDPUQUIBMYQCT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds5

About [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol

[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 62157239) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID62157239
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCCNc1ncccc1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C12H19N3O3S/c1-2-13-12-11(6-3-7-14-12)19(17,18)15-8-4-5-10(15)9-16/h3,6-7,10,16H,2,4-5,8-9H2,1H3,(H,13,14)
InChIKeyWWDPUQUIBMYQCT-UHFFFAOYSA-N
XLogP0.66
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 55139274
[3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 60974921
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
methyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 79028511
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (CID 62157239) is [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol is CCNc1ncccc1S(=O)(=O)N1CCCC1CO.
What is the InChIKey of [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is WWDPUQUIBMYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-13-12-11(6-3-7-14-12)19(17,18)15-8-4-5-10(15)9-16/h3,6-7,10,16H,2,4-5,8-9H2,1H3,(H,13,14).
What are the key properties of [1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 0.66, 5 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]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62157239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).