(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

C11H15NO5S2 — CID 79031039

IUPAC(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-18(14,15)10-2-4-11(5-3-10)19(16,17)12-7-6-9(13)8-12/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1
InChIKeyIBTBZFBNTCLJHC-VIFPVBQESA-N
MW305.38 g/mol
LogP-0.15
Rot. Bonds3

About (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 79031039) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID79031039
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-18(14,15)10-2-4-11(5-3-10)19(16,17)12-7-6-9(13)8-12/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1
InChIKeyIBTBZFBNTCLJHC-VIFPVBQESA-N
XLogP-0.15
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-hydrazinylphenyl)sulfonylpyrrolidin-3-ol
CID 62941759
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (CID 79031039) is (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is IBTBZFBNTCLJHC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-18(14,15)10-2-4-11(5-3-10)19(16,17)12-7-6-9(13)8-12/h2-5,9,13H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 305.38 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79031039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).