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

C15H17NO3S3 — CID 175606985

IUPAC[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Sc2cccs2)c1)N1CCC[C@H]1CO
InChIInChI=1S/C15H17NO3S3/c17-11-12-4-2-8-16(12)22(18,19)14-6-1-5-13(10-14)21-15-7-3-9-20-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2/t12-/m0/s1
InChIKeyRFZABPSXKONWRF-LBPRGKRZSA-N
MW355.51 g/mol
LogP3.04
Rot. Bonds5

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

[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 175606985) has the molecular formula C15H17NO3S3 and a molecular weight of 355.51 g/mol. Its IUPAC name is [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID175606985
Molecular FormulaC15H17NO3S3
Molecular Weight355.51 g/mol
Exact Mass355.04
IUPAC Name[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Sc2cccs2)c1)N1CCC[C@H]1CO
InChIInChI=1S/C15H17NO3S3/c17-11-12-4-2-8-16(12)22(18,19)14-6-1-5-13(10-14)21-15-7-3-9-20-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2/t12-/m0/s1
InChIKeyRFZABPSXKONWRF-LBPRGKRZSA-N
XLogP3.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10807974, Example 43
CID 130345141
[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol
CID 155565885
2-[(R)-2-[(phenylsulfonyl)methyl]-1-pyrrolidinylsulfonyl]thiophene
CID 97354978
[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 75467509
[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 95314907
[1-(2-Fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409065
[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66261143
[(2S)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027922
(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470087
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
5-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]sulfanylthiophene-2-carbonitrile
CID 130345077
5-[3-[2-(Hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]sulfanylthiophene-2-carbonitrile
CID 130345078

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 175606985) is [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(Sc2cccs2)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is RFZABPSXKONWRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO3S3/c17-11-12-4-2-8-16(12)22(18,19)14-6-1-5-13(10-14)21-15-7-3-9-20-15/h1,3,5-7,9-10,12,17H,2,4,8,11H2/t12-/m0/s1.
What are the key properties of [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 355.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 175606985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).