3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol

C13H16N2O4S — CID 103537133

IUPAC3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
SMILESCOC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C1
InChIInChI=1S/C13H16N2O4S/c1-19-12-4-5-15(10-12)20(17,18)13-7-11(3-2-6-16)8-14-9-13/h7-9,12,16H,4-6,10H2,1H3
InChIKeyGRVCWORBFYBJMP-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.17
Rot. Bonds3

About 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol

3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 103537133) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
PubChem CID103537133
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
SMILESCOC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C1
InChIInChI=1S/C13H16N2O4S/c1-19-12-4-5-15(10-12)20(17,18)13-7-11(3-2-6-16)8-14-9-13/h7-9,12,16H,4-6,10H2,1H3
InChIKeyGRVCWORBFYBJMP-UHFFFAOYSA-N
XLogP-0.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966572
3-[3-(3-methoxypiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 102964098
1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942147
1-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357674
3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 62331288
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
3-[5-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
CID 63603722
1-[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114680718
3-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 61422153
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63655761
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
CID 103541118

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol (CID 103537133) is 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol is COC1CCN(S(=O)(=O)c2cncc(C#CCO)c2)C1.
What is the InChIKey of 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is GRVCWORBFYBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-19-12-4-5-15(10-12)20(17,18)13-7-11(3-2-6-16)8-14-9-13/h7-9,12,16H,4-6,10H2,1H3.
What are the key properties of 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol?
3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 296.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 103537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).