1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol

C13H16N2O4S — CID 62942147

IUPAC1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cncc(C#CCCO)c1)N1CCC(O)C1
InChIInChI=1S/C13H16N2O4S/c16-6-2-1-3-11-7-13(9-14-8-11)20(18,19)15-5-4-12(17)10-15/h7-9,12,16-17H,2,4-6,10H2
InChIKeyOTXGMSMEFMXPTJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.43
Rot. Bonds3

About 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol

1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (PubChem CID 62942147) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
PubChem CID62942147
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cncc(C#CCCO)c1)N1CCC(O)C1
InChIInChI=1S/C13H16N2O4S/c16-6-2-1-3-11-7-13(9-14-8-11)20(18,19)15-5-4-12(17)10-15/h7-9,12,16-17H,2,4-6,10H2
InChIKeyOTXGMSMEFMXPTJ-UHFFFAOYSA-N
XLogP-0.43
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966572
3-[5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 103537133
3-[5-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
CID 63603722
1-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357674
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 97326823
3-[5-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-ol
CID 62331288
4-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]but-3-yn-1-ol
CID 60823033
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63700384
1-[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114680718
[4-(4-hydroxybut-1-ynyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55132342

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (CID 62942147) is 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1cncc(C#CCCO)c1)N1CCC(O)C1.
What is the InChIKey of 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is OTXGMSMEFMXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-6-2-1-3-11-7-13(9-14-8-11)20(18,19)15-5-4-12(17)10-15/h7-9,12,16-17H,2,4-6,10H2.
What are the key properties of 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 296.35 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-hydroxybut-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).