3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol

C14H20N2O4S — CID 81265123

IUPAC3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S/c17-13-2-1-3-14(10-13)21(18,19)16-5-4-12(11-16)15-6-8-20-9-7-15/h1-3,10,12,17H,4-9,11H2
InChIKeyCKGNKZUHNYPVMS-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.49
Rot. Bonds3

About 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol

3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol (PubChem CID 81265123) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
PubChem CID81265123
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20N2O4S/c17-13-2-1-3-14(10-13)21(18,19)16-5-4-12(11-16)15-6-8-20-9-7-15/h1-3,10,12,17H,4-9,11H2
InChIKeyCKGNKZUHNYPVMS-UHFFFAOYSA-N
XLogP0.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenol
CID 114538277
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
CID 18473250
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol?
The IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol (CID 81265123) is 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol.
What is the SMILES notation for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol?
The canonical SMILES for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol is O=S(=O)(c1cccc(O)c1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol?
The InChIKey is CKGNKZUHNYPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-13-2-1-3-14(10-13)21(18,19)16-5-4-12(11-16)15-6-8-20-9-7-15/h1-3,10,12,17H,4-9,11H2.
What are the key properties of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol?
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol has a molecular weight of 312.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol is sourced from PubChem (CID 81265123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).