2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol

C15H22N2O3S — CID 114798323

IUPAC2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc2c(c1)NCCC2)N1CCC(CCO)C1
InChIInChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)21(19,20)14-4-3-13-2-1-7-16-15(13)10-14/h3-4,10,12,16,18H,1-2,5-9,11H2
InChIKeyRUZLCIRLRGKSCV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol

2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 114798323) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID114798323
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc2c(c1)NCCC2)N1CCC(CCO)C1
InChIInChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)21(19,20)14-4-3-13-2-1-7-16-15(13)10-14/h3-4,10,12,16,18H,1-2,5-9,11H2
InChIKeyRUZLCIRLRGKSCV-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperidin-3-yl]ethanol
CID 107227904
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 114801907
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
[4-(2,3-dihydro-1H-indol-6-ylsulfonyl)morpholin-2-yl]methanol
CID 81205308
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol (CID 114798323) is 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol is O=S(=O)(c1ccc2c(c1)NCCC2)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RUZLCIRLRGKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)21(19,20)14-4-3-13-2-1-7-16-15(13)10-14/h3-4,10,12,16,18H,1-2,5-9,11H2.
What are the key properties of 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 310.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).