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

C11H17N3O3S — CID 55139274

IUPAC[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCNc1ncccc1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C11H17N3O3S/c1-12-11-10(5-2-6-13-11)18(16,17)14-7-3-4-9(14)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3,(H,12,13)
InChIKeyIDSCBYGPQSWPKO-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.27
Rot. Bonds4

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

[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 55139274) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID55139274
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCNc1ncccc1S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C11H17N3O3S/c1-12-11-10(5-2-6-13-11)18(16,17)14-7-3-4-9(14)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3,(H,12,13)
InChIKeyIDSCBYGPQSWPKO-UHFFFAOYSA-N
XLogP0.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
[3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 60974921
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
methyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 79028511
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
N-methyl-3-(3-methylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 62146970
2-[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107226271
[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (CID 55139274) is [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol is CNc1ncccc1S(=O)(=O)N1CCCC1CO.
What is the InChIKey of [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is IDSCBYGPQSWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-12-11-10(5-2-6-13-11)18(16,17)14-7-3-4-9(14)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3,(H,12,13).
What are the key properties of [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 271.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 55139274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).