2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol

C15H18N2O3S — CID 115745017

IUPAC2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
SMILESO=S(=O)(c1cccc2ncccc12)N1CCC(CCO)C1
InChIInChI=1S/C15H18N2O3S/c18-10-7-12-6-9-17(11-12)21(19,20)15-5-1-4-14-13(15)3-2-8-16-14/h1-5,8,12,18H,6-7,9-11H2
InChIKeyWQANFTGCWMRZOP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.63
Rot. Bonds4

About 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol

2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol (PubChem CID 115745017) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
PubChem CID115745017
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
SMILESO=S(=O)(c1cccc2ncccc12)N1CCC(CCO)C1
InChIInChI=1S/C15H18N2O3S/c18-10-7-12-6-9-17(11-12)21(19,20)15-5-1-4-14-13(15)3-2-8-16-14/h1-5,8,12,18H,6-7,9-11H2
InChIKeyWQANFTGCWMRZOP-UHFFFAOYSA-N
XLogP1.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-8-quinolinesulfonamide
CID 975246
Quinoline-5-sulfonamide
CID 21876443
5-Quinolinesulfonic acid
CID 90048
Quinoline-4-sulfonamide
CID 61728044
8-Fluoro-3-iodo-5-pyrrolidin-1-ylsulfonylquinoline
CID 168286441
2-[1-(Benzenesulfonyl)indol-3-yl]ethanol
CID 11449471
8-Methylquinoline-5-sulfonamide
CID 21227293
N-(1-hydroxypentan-3-yl)quinoline-5-sulfonamide
CID 71911290
5-Pyrrolidin-1-ylsulfonylquinoline
CID 72025616
N-(3-hydroxypentyl)quinoline-3-sulfonamide
CID 86808045
N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide
CID 104773617
8-Fluoroquinoline-5-sulfonamide
CID 37479572

Frequently Asked Questions

What is the IUPAC name of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol (CID 115745017) is 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol is O=S(=O)(c1cccc2ncccc12)N1CCC(CCO)C1.
What is the InChIKey of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol?
The InChIKey is WQANFTGCWMRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-10-7-12-6-9-17(11-12)21(19,20)15-5-1-4-14-13(15)3-2-8-16-14/h1-5,8,12,18H,6-7,9-11H2.
What are the key properties of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol?
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol has a molecular weight of 306.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115745017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).