2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol

C15H24N2O3S — CID 114798223

IUPAC2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
SMILESCNC(C)c1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(16-2)14-3-5-15(6-4-14)21(19,20)17-9-7-13(11-17)8-10-18/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyVDGVXWMLUYPCDY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol

2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114798223) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114798223
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol
SMILESCNC(C)c1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(16-2)14-3-5-15(6-4-14)21(19,20)17-9-7-13(11-17)8-10-18/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyVDGVXWMLUYPCDY-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
CID 114799335
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
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-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol (CID 114798223) is 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol is CNC(C)c1ccc(S(=O)(=O)N2CCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is VDGVXWMLUYPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(16-2)14-3-5-15(6-4-14)21(19,20)17-9-7-13(11-17)8-10-18/h3-6,12-13,16,18H,7-11H2,1-2H3.
What are the key properties of 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol?
2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).