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

C15H22N2O3S — CID 115965542

IUPAC1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C15H22N2O3S/c1-11(18)13-6-8-17(10-13)21(19,20)14-5-4-12-3-2-7-16-15(12)9-14/h4-5,9,11,13,16,18H,2-3,6-8,10H2,1H3
InChIKeyRTWSMHFTGWLFHD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds3

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

1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 115965542) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID115965542
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C15H22N2O3S/c1-11(18)13-6-8-17(10-13)21(19,20)14-5-4-12-3-2-7-16-15(12)9-14/h4-5,9,11,13,16,18H,2-3,6-8,10H2,1H3
InChIKeyRTWSMHFTGWLFHD-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114798323
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 106836439
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627588
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
2-[1-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperidin-3-yl]ethanol
CID 107227904
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol (CID 115965542) is 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RTWSMHFTGWLFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(18)13-6-8-17(10-13)21(19,20)14-5-4-12-3-2-7-16-15(12)9-14/h4-5,9,11,13,16,18H,2-3,6-8,10H2,1H3.
What are the key properties of 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[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, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115965542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).