[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol

C9H11Cl2NO3S2 — CID 66261155

IUPAC[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H]1CO
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(12)5-13/h4,6,13H,1-3,5H2/t6-/m0/s1
InChIKeyYDJFKRPIPCDUCL-LURJTMIESA-N
MW316.23 g/mol
LogP2.20
Rot. Bonds3

About [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 66261155) has the molecular formula C9H11Cl2NO3S2 and a molecular weight of 316.23 g/mol. Its IUPAC name is [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID66261155
Molecular FormulaC9H11Cl2NO3S2
Molecular Weight316.23 g/mol
Exact Mass314.96
IUPAC Name[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H]1CO
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(12)5-13/h4,6,13H,1-3,5H2/t6-/m0/s1
InChIKeyYDJFKRPIPCDUCL-LURJTMIESA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
3-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 103100200
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol (CID 66261155) is [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is YDJFKRPIPCDUCL-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2NO3S2/c10-8-4-7(9(11)16-8)17(14,15)12-3-1-2-6(12)5-13/h4,6,13H,1-3,5H2/t6-/m0/s1.
What are the key properties of [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 316.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66261155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).