[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol

C15H17NO5S3 — CID 175606970

IUPAC[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2CO)c1)c1cccs1
InChIInChI=1S/C15H17NO5S3/c17-11-12-4-2-8-16(12)24(20,21)14-6-1-5-13(10-14)23(18,19)15-7-3-9-22-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2
InChIKeyPDSQELUFOMCMNZ-UHFFFAOYSA-N
MW387.50 g/mol
LogP1.73
Rot. Bonds5

About [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 175606970) has the molecular formula C15H17NO5S3 and a molecular weight of 387.50 g/mol. Its IUPAC name is [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID175606970
Molecular FormulaC15H17NO5S3
Molecular Weight387.50 g/mol
Exact Mass387.03
IUPAC Name[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCCC2CO)c1)c1cccs1
InChIInChI=1S/C15H17NO5S3/c17-11-12-4-2-8-16(12)24(20,21)14-6-1-5-13(10-14)23(18,19)15-7-3-9-22-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2
InChIKeyPDSQELUFOMCMNZ-UHFFFAOYSA-N
XLogP1.73
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2S)-2-(phenylmethoxymethyl)-1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidine
CID 150243178
[(2S)-1-[3-[5-(methylaminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130358192
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61409691
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316

Frequently Asked Questions

What is the IUPAC name of [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 175606970) is [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2CO)c1)c1cccs1.
What is the InChIKey of [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is PDSQELUFOMCMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S3/c17-11-12-4-2-8-16(12)24(20,21)14-6-1-5-13(10-14)23(18,19)15-7-3-9-22-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2.
What are the key properties of [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 387.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 175606970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).